3-aminoazepan-2-ol

C6H14N2O — CID 76625656

IUPAC3-aminoazepan-2-ol
SMILESNC1CCCCNC1O
InChIInChI=1S/C6H14N2O/c7-5-3-1-2-4-8-6(5)9/h5-6,8-9H,1-4,7H2
InChIKeyGLGNCEHLKPJBJT-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.59
Rot. Bonds

About 3-aminoazepan-2-ol

3-aminoazepan-2-ol (PubChem CID 76625656) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-aminoazepan-2-ol.

Molecular Properties

Compound Name3-aminoazepan-2-ol
PubChem CID76625656
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-aminoazepan-2-ol
SMILESNC1CCCCNC1O
InChIInChI=1S/C6H14N2O/c7-5-3-1-2-4-8-6(5)9/h5-6,8-9H,1-4,7H2
InChIKeyGLGNCEHLKPJBJT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-aminoazepan-2-ol?
The IUPAC name of 3-aminoazepan-2-ol (CID 76625656) is 3-aminoazepan-2-ol.
What is the SMILES notation for 3-aminoazepan-2-ol?
The canonical SMILES for 3-aminoazepan-2-ol is NC1CCCCNC1O.
What is the InChIKey of 3-aminoazepan-2-ol?
The InChIKey is GLGNCEHLKPJBJT-UHFFFAOYSA-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.
What are the key properties of 3-aminoazepan-2-ol?
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 3-aminoazepan-2-ol is sourced from PubChem (CID 76625656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).