2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine

C23H63N7O4 — CID 157214736

IUPAC2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
SMILESCCC(N)CO.CN(C)CCCN.CN(C)CCN.NCCCCCCO.NCCOCCO
InChIInChI=1S/C6H15NO.C5H14N2.C4H12N2.C4H11NO2.C4H11NO/c7-5-3-1-2-4-6-8;1-7(2)5-3-4-6;1-6(2)4-3-5;5-1-3-7-4-2-6;1-2-4(5)3-6/h8H,1-7H2;3-6H2,1-2H3;3-5H2,1-2H3;6H,1-5H2;4,6H,2-3,5H2,1H3
InChIKeyASHAOMBJDDTNMJ-UHFFFAOYSA-N
MW501.80 g/mol
LogP-1.43
Rot. Bonds16

About 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine

2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine (PubChem CID 157214736) has the molecular formula C23H63N7O4 and a molecular weight of 501.80 g/mol. Its IUPAC name is 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
PubChem CID157214736
Molecular FormulaC23H63N7O4
Molecular Weight501.80 g/mol
Exact Mass501.49
IUPAC Name2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
SMILESCCC(N)CO.CN(C)CCCN.CN(C)CCN.NCCCCCCO.NCCOCCO
InChIInChI=1S/C6H15NO.C5H14N2.C4H12N2.C4H11NO2.C4H11NO/c7-5-3-1-2-4-6-8;1-7(2)5-3-4-6;1-6(2)4-3-5;5-1-3-7-4-2-6;1-2-4(5)3-6/h8H,1-7H2;3-6H2,1-2H3;3-5H2,1-2H3;6H,1-5H2;4,6H,2-3,5H2,1H3
InChIKeyASHAOMBJDDTNMJ-UHFFFAOYSA-N
XLogP-1.43
TPSA206.50 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500501.80
LogP ≤ 5-1.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-aminobutan-1-ol;4-aminobutan-1-ol;2-aminoethanol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;butan-1-amine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;2-ethylhexan-1-amine;hexan-1-amine;2-morpholin-4-ylethanamine
CID 157446710
2-aminobutan-1-ol;4-aminobutan-1-ol;2-aminoethanol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;butan-1-amine;cyclopropylmethanamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;2-ethylhexan-1-amine;hexan-1-amine;3-imidazol-1-ylpropan-1-amine;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine;2-piperidin-1-ylethanamine
CID 159627877
2-aminobutan-1-ol;4-aminobutan-1-ol;2-aminoethanol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;butan-1-amine;cyclohexylmethanamine;cyclopropylmethanamine;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine;2-ethylhexan-1-amine;hexan-1-amine;3-imidazol-1-ylpropan-1-amine;2-morpholin-4-ylethanamine;3-morpholin-4-ylpropan-1-amine;2-piperidin-1-ylethanamine
CID 158208713
6-[6-(dimethylamino)hexoxy]hexan-1-ol
CID 54275825
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156
butan-1-amine;2-(2-hydroxyethoxy)ethanol
CID 158511117
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylpentane-1,5-diamine
CID 3465925

Frequently Asked Questions

What is the IUPAC name of 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine (CID 157214736) is 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine is CCC(N)CO.CN(C)CCCN.CN(C)CCN.NCCCCCCO.NCCOCCO.
What is the InChIKey of 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ASHAOMBJDDTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C5H14N2.C4H12N2.C4H11NO2.C4H11NO/c7-5-3-1-2-4-6-8;1-7(2)5-3-4-6;1-6(2)4-3-5;5-1-3-7-4-2-6;1-2-4(5)3-6/h8H,1-7H2;3-6H2,1-2H3;3-5H2,1-2H3;6H,1-5H2;4,6H,2-3,5H2,1H3.
What are the key properties of 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine?
2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine has a molecular weight of 501.80 g/mol, XLogP of -1.43, 16 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobutan-1-ol;2-(2-aminoethoxy)ethanol;6-aminohexan-1-ol;N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 157214736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).