3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol

C13H28N2O — CID 106811372

IUPAC3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCCCCC1
InChIInChI=1S/C13H28N2O/c1-2-13(16,12-14)8-7-11-15-9-5-3-4-6-10-15/h16H,2-12,14H2,1H3
InChIKeyVILXDOVYHBAZRW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.74
Rot. Bonds6

About 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol

3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol (PubChem CID 106811372) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol
PubChem CID106811372
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCCCCC1
InChIInChI=1S/C13H28N2O/c1-2-13(16,12-14)8-7-11-15-9-5-3-4-6-10-15/h16H,2-12,14H2,1H3
InChIKeyVILXDOVYHBAZRW-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-5-(azocan-1-yl)-2-methylpentan-2-ol
CID 64818975
3-(aminomethyl)-6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-ol
CID 106811332
3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
CID 106811396
3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
CID 106811330
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
2-amino-2-ethyl-5-pyrrolidin-1-ylpentanenitrile
CID 106802830
2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
(6Z,9Z,28Z,31Z)-19-(4-piperidin-1-ylbutyl)heptatriaconta-6,9,28,31-tetraen-19-ol
CID 146479021
3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
CID 106811363
2,2-diphenyl-5-piperidin-1-ylpentan-1-amine
CID 22767303

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol (CID 106811372) is 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol is CCC(O)(CN)CCCN1CCCCCC1.
What is the InChIKey of 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol?
The InChIKey is VILXDOVYHBAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-2-13(16,12-14)8-7-11-15-9-5-3-4-6-10-15/h16H,2-12,14H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol?
3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(azepan-1-yl)hexan-3-ol is sourced from PubChem (CID 106811372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).