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

C53H140N14O7 — CID 157446710

IUPAC2-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
SMILESCCC(N)CO.CCCCC(CC)CN.CCCCCCN.CCCCN.CN(C)CCCN.CN(C)CCN.NCCCCCCO.NCCCCO.NCCN1CCOCC1.NCCO.NCCOCCO
InChIInChI=1S/C8H19N.C6H14N2O.C6H15NO.C6H15N.C5H14N2.C4H12N2.C4H11NO2.2C4H11NO.C4H11N.C2H7NO/c1-3-5-6-8(4-2)7-9;7-1-2-8-3-5-9-6-4-8;7-5-3-1-2-4-6-8;1-2-3-4-5-6-7;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;5-3-1-2-4-6;1-2-3-4-5;3-1-2-4/h8H,3-7,9H2,1-2H3;1-7H2;8H,1-7H2;2-7H2,1H3;3-6H2,1-2H3;3-5H2,1-2H3;6H,1-5H2;4,6H,2-3,5H2,1H3;6H,1-5H2;2-5H2,1H3;4H,1-3H2
InChIKeyBSHQWPIDOWRNKO-UHFFFAOYSA-N
MW1085.79 g/mol
LogP0.94
Rot. Bonds33

About 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

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 (PubChem CID 157446710) has the molecular formula C53H140N14O7 and a molecular weight of 1085.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157446710
Molecular FormulaC53H140N14O7
Molecular Weight1085.79 g/mol
Exact Mass1085.10
IUPAC Name2-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
SMILESCCC(N)CO.CCCCC(CC)CN.CCCCCCN.CCCCN.CN(C)CCCN.CN(C)CCN.NCCCCCCO.NCCCCO.NCCN1CCOCC1.NCCO.NCCOCCO
InChIInChI=1S/C8H19N.C6H14N2O.C6H15NO.C6H15N.C5H14N2.C4H12N2.C4H11NO2.2C4H11NO.C4H11N.C2H7NO/c1-3-5-6-8(4-2)7-9;7-1-2-8-3-5-9-6-4-8;7-5-3-1-2-4-6-8;1-2-3-4-5-6-7;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;5-3-1-2-4-6;1-2-3-4-5;3-1-2-4/h8H,3-7,9H2,1-2H3;1-7H2;8H,1-7H2;2-7H2,1H3;3-6H2,1-2H3;3-5H2,1-2H3;6H,1-5H2;4,6H,2-3,5H2,1H3;6H,1-5H2;2-5H2,1H3;4H,1-3H2
InChIKeyBSHQWPIDOWRNKO-UHFFFAOYSA-N
XLogP0.94
TPSA415.55 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.79
LogP ≤ 50.94
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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;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
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
2-ethyl-4-morpholin-4-ylbutan-1-amine
CID 81080457
2-(2-aminoethoxy)ethanol;2-(aminomethyl)propane-1,3-diol;5-aminopentan-1-ol;2-aminopropane-1,3-diol;(2S)-1-aminopropan-2-ol;3-aminopropan-1-ol;2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;1,4-diazepane;2,2-dimethoxyethanamine;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;N',N'-dimethylpropane-1,3-diamine;ethane-1,2-diamine;3-ethylpentan-3-amine;heptane;5-(2-hydroxyethylamino)pentan-1-ol;3-imidazol-1-ylpropan-1-amine;3-(1H-imidazol-5-yl)propan-1-amine;2-methoxyethanamine;2-morpholin-4-ylethanamine;oxolan-2-ylmethanamine;2-piperidin-1-ylethanamine;propane-1,3-diamine;2-pyrrolidin-1-ylethanamine
CID 157052810
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
4-(2-hexoxyethyl)morpholine
CID 3326674
[9-[3-(dimethylamino)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-[ethyl(methyl)amino]propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-[3-(4-methylpiperazin-1-yl)propyl]-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[9-(3-morpholin-4-ylpropyl)-17-(3-pentyloctanoyloxy)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-piperidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate;[17-(3-pentyloctanoyloxy)-9-(3-pyrrolidin-1-ylpropyl)heptadecyl] 3-pentyloctanoate
CID 158484679
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
ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol
CID 144711905
butan-1-amine;2-(2-hydroxyethoxy)ethanol
CID 158511117
2-(2-aminoethylamino)ethanol;decan-1-amine;dodecan-1-amine;ethanamine;2-ethylhexan-1-amine;hexadecan-1-amine;octadecan-1-amine;tetradecan-1-amine;tridecan-1-amine;undecan-1-amine
CID 159970402

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(N)CO.CCCCC(CC)CN.CCCCCCN.CCCCN.CN(C)CCCN.CN(C)CCN.NCCCCCCO.NCCCCO.NCCN1CCOCC1.NCCO.NCCOCCO.
What is the InChIKey of 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?
The InChIKey is BSHQWPIDOWRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C6H14N2O.C6H15NO.C6H15N.C5H14N2.C4H12N2.C4H11NO2.2C4H11NO.C4H11N.C2H7NO/c1-3-5-6-8(4-2)7-9;7-1-2-8-3-5-9-6-4-8;7-5-3-1-2-4-6-8;1-2-3-4-5-6-7;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;5-3-1-2-4-6;1-2-3-4-5;3-1-2-4/h8H,3-7,9H2,1-2H3;1-7H2;8H,1-7H2;2-7H2,1H3;3-6H2,1-2H3;3-5H2,1-2H3;6H,1-5H2;4,6H,2-3,5H2,1H3;6H,1-5H2;2-5H2,1H3;4H,1-3H2.
What are the key properties of 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?
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 has a molecular weight of 1085.79 g/mol, XLogP of 0.94, 33 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157446710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).