2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine

C86H217N21O11 — CID 158159746

IUPAC2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine
SMILESCC(C)NCCO.CN(C)CCCCCCN(C)C.CN(C)CCCCN(C)C.CN(C)CCN.CN(C)CCN(C)C.CN(C)CCN(C)CCN(C)C.CN(C)CCO.CN(C)CCOCCN(C)C.CN(CCCN)CCCO.CN(CCO)CCO.NCCO.OCCCCCO.OCCN1CCCC1.OCCN1CCCCC1
InChIInChI=1S/C10H24N2.C9H23N3.C8H20N2O.C8H20N2.C7H18N2O.C7H15NO.C6H16N2.C6H13NO.C5H13NO2.C5H13NO.C5H12O2.C4H12N2.C4H11NO.C2H7NO/c1-11(2)9-7-5-6-8-10-12(3)4;1-10(2)6-8-12(5)9-7-11(3)4;1-9(2)5-7-11-8-6-10(3)4;1-9(2)7-5-6-8-10(3)4;1-9(5-2-4-8)6-3-7-10;9-7-6-8-4-2-1-3-5-8;1-7(2)5-6-8(3)4;8-6-5-7-3-1-2-4-7;1-6(2-4-7)3-5-8;1-5(2)6-3-4-7;6-4-2-1-3-5-7;1-6(2)4-3-5;1-5(2)3-4-6;3-1-2-4/h5-10H2,1-4H3;6-9H2,1-5H3;5-8H2,1-4H3;5-8H2,1-4H3;10H,2-8H2,1H3;9H,1-7H2;5-6H2,1-4H3;8H,1-6H2;7-8H,2-5H2,1H3;5-7H,3-4H2,1-2H3;6-7H,1-5H2;3-5H2,1-2H3;6H,3-4H2,1-2H3;4H,1-3H2
InChIKeyFWCWQZZCYBKIEV-UHFFFAOYSA-N
MW1721.82 g/mol
LogP0.03
Rot. Bonds53

About 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine

2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine (PubChem CID 158159746) has the molecular formula C86H217N21O11 and a molecular weight of 1721.82 g/mol. Its IUPAC name is 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine.

Molecular Properties

Compound Name2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine
PubChem CID158159746
Molecular FormulaC86H217N21O11
Molecular Weight1721.82 g/mol
Exact Mass1720.71
IUPAC Name2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine
SMILESCC(C)NCCO.CN(C)CCCCCCN(C)C.CN(C)CCCCN(C)C.CN(C)CCN.CN(C)CCN(C)C.CN(C)CCN(C)CCN(C)C.CN(C)CCO.CN(C)CCOCCN(C)C.CN(CCCN)CCCO.CN(CCO)CCO.NCCO.OCCCCCO.OCCN1CCCC1.OCCN1CCCCC1
InChIInChI=1S/C10H24N2.C9H23N3.C8H20N2O.C8H20N2.C7H18N2O.C7H15NO.C6H16N2.C6H13NO.C5H13NO2.C5H13NO.C5H12O2.C4H12N2.C4H11NO.C2H7NO/c1-11(2)9-7-5-6-8-10-12(3)4;1-10(2)6-8-12(5)9-7-11(3)4;1-9(2)5-7-11-8-6-10(3)4;1-9(2)7-5-6-8-10(3)4;1-9(5-2-4-8)6-3-7-10;9-7-6-8-4-2-1-3-5-8;1-7(2)5-6-8(3)4;8-6-5-7-3-1-2-4-7;1-6(2-4-7)3-5-8;1-5(2)6-3-4-7;6-4-2-1-3-5-7;1-6(2)4-3-5;1-5(2)3-4-6;3-1-2-4/h5-10H2,1-4H3;6-9H2,1-5H3;5-8H2,1-4H3;5-8H2,1-4H3;10H,2-8H2,1H3;9H,1-7H2;5-6H2,1-4H3;8H,1-6H2;7-8H,2-5H2,1H3;5-7H,3-4H2,1-2H3;6-7H,1-5H2;3-5H2,1-2H3;6H,3-4H2,1-2H3;4H,1-3H2
InChIKeyFWCWQZZCYBKIEV-UHFFFAOYSA-N
XLogP0.03
TPSA356.70 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds53
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001721.82
LogP ≤ 50.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine?
The IUPAC name of 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine (CID 158159746) is 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine.
What is the SMILES notation for 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine?
The canonical SMILES for 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine is CC(C)NCCO.CN(C)CCCCCCN(C)C.CN(C)CCCCN(C)C.CN(C)CCN.CN(C)CCN(C)C.CN(C)CCN(C)CCN(C)C.CN(C)CCO.CN(C)CCOCCN(C)C.CN(CCCN)CCCO.CN(CCO)CCO.NCCO.OCCCCCO.OCCN1CCCC1.OCCN1CCCCC1.
What is the InChIKey of 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine?
The InChIKey is FWCWQZZCYBKIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.C9H23N3.C8H20N2O.C8H20N2.C7H18N2O.C7H15NO.C6H16N2.C6H13NO.C5H13NO2.C5H13NO.C5H12O2.C4H12N2.C4H11NO.C2H7NO/c1-11(2)9-7-5-6-8-10-12(3)4;1-10(2)6-8-12(5)9-7-11(3)4;1-9(2)5-7-11-8-6-10(3)4;1-9(2)7-5-6-8-10(3)4;1-9(5-2-4-8)6-3-7-10;9-7-6-8-4-2-1-3-5-8;1-7(2)5-6-8(3)4;8-6-5-7-3-1-2-4-7;1-6(2-4-7)3-5-8;1-5(2)6-3-4-7;6-4-2-1-3-5-7;1-6(2)4-3-5;1-5(2)3-4-6;3-1-2-4/h5-10H2,1-4H3;6-9H2,1-5H3;5-8H2,1-4H3;5-8H2,1-4H3;10H,2-8H2,1H3;9H,1-7H2;5-6H2,1-4H3;8H,1-6H2;7-8H,2-5H2,1H3;5-7H,3-4H2,1-2H3;6-7H,1-5H2;3-5H2,1-2H3;6H,3-4H2,1-2H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine?
2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine has a molecular weight of 1721.82 g/mol, XLogP of 0.03, 53 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;3-[3-aminopropyl(methyl)amino]propan-1-ol;2-(dimethylamino)ethanol;2-[2-(dimethylamino)ethoxy]-N,N-dimethylethanamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;2-[2-hydroxyethyl(methyl)amino]ethanol;pentane-1,5-diol;2-piperidin-1-ylethanol;2-(propan-2-ylamino)ethanol;2-pyrrolidin-1-ylethanol;N,N,N',N'-tetramethylbutane-1,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N',N'-tetramethylhexane-1,6-diamine is sourced from PubChem (CID 158159746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).