(3S)-3-aminoazepan-2-ol

C6H14N2O — CID 174814816

IUPAC(3S)-3-aminoazepan-2-ol
SMILESN[C@H]1CCCCNC1O
InChIInChI=1S/C6H14N2O/c7-5-3-1-2-4-8-6(5)9/h5-6,8-9H,1-4,7H2/t5-,6?/m0/s1
InChIKeyGLGNCEHLKPJBJT-ZBHICJROSA-N
MW130.19 g/mol
LogP-0.59
Rot. Bonds

About (3S)-3-aminoazepan-2-ol

(3S)-3-aminoazepan-2-ol (PubChem CID 174814816) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3S)-3-aminoazepan-2-ol.

Molecular Properties

Compound Name(3S)-3-aminoazepan-2-ol
PubChem CID174814816
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3S)-3-aminoazepan-2-ol
SMILESN[C@H]1CCCCNC1O
InChIInChI=1S/C6H14N2O/c7-5-3-1-2-4-8-6(5)9/h5-6,8-9H,1-4,7H2/t5-,6?/m0/s1
InChIKeyGLGNCEHLKPJBJT-ZBHICJROSA-N
XLogP-0.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-aminoazecan-2-ol
CID 140561630
azacyclononadecan-2-ol
CID 22924253
cis-(1S,2R)-2-aminocyclohexan-1-ol
CID 2724651
azepane-2,3,4-triol
CID 18417369
cis-(1R,2S)-2-aminocyclononan-1-ol
CID 130765109
trans-(1S,2S)-cycloundecane-1,2-diamine
CID 139815756
2-methylpiperidine;oxan-4-amine
CID 142432277
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
dioxidanium;platinum(2+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 59971329
2-methylpiperidine
CID 7974
2-pyrrolidin-2-ylpiperidine
CID 14810994
bis[(2S)-piperidin-2-yl]methanone
CID 174971247

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminoazepan-2-ol?
The IUPAC name of (3S)-3-aminoazepan-2-ol (CID 174814816) is (3S)-3-aminoazepan-2-ol.
What is the SMILES notation for (3S)-3-aminoazepan-2-ol?
The canonical SMILES for (3S)-3-aminoazepan-2-ol is N[C@H]1CCCCNC1O.
What is the InChIKey of (3S)-3-aminoazepan-2-ol?
The InChIKey is GLGNCEHLKPJBJT-ZBHICJROSA-N. The full InChI is InChI=1S/C6H14N2O/c7-5-3-1-2-4-8-6(5)9/h5-6,8-9H,1-4,7H2/t5-,6?/m0/s1.
What are the key properties of (3S)-3-aminoazepan-2-ol?
(3S)-3-aminoazepan-2-ol has a molecular weight of 130.19 g/mol, XLogP of -0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminoazepan-2-ol is sourced from PubChem (CID 174814816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).