[1-(5-aminopentyl)azepan-2-yl]methanol

C12H26N2O — CID 116634289

IUPAC[1-(5-aminopentyl)azepan-2-yl]methanol
SMILESNCCCCCN1CCCCCC1CO
InChIInChI=1S/C12H26N2O/c13-8-4-2-6-10-14-9-5-1-3-7-12(14)11-15/h12,15H,1-11,13H2
InChIKeyYMLDLOPMUASMIH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.35
Rot. Bonds6

About [1-(5-aminopentyl)azepan-2-yl]methanol

[1-(5-aminopentyl)azepan-2-yl]methanol (PubChem CID 116634289) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-(5-aminopentyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-aminopentyl)azepan-2-yl]methanol
PubChem CID116634289
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-(5-aminopentyl)azepan-2-yl]methanol
SMILESNCCCCCN1CCCCCC1CO
InChIInChI=1S/C12H26N2O/c13-8-4-2-6-10-14-9-5-1-3-7-12(14)11-15/h12,15H,1-11,13H2
InChIKeyYMLDLOPMUASMIH-UHFFFAOYSA-N
XLogP1.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Azepan-2-yl)methanol
CID 2849412
2-(Azepan-2-yl)ethan-1-ol hydrochloride
CID 19803942
(1-Ethyl-2-azepanyl)methanol
CID 2849413
Azepan-2-ylmethanol Hydrochloride
CID 6456437
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]azepan-2-yl]methanol
CID 103366473
(5-Fluoroazepan-2-yl)methanol
CID 105429050
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634120
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)azepan-2-yl]methanol
CID 116634245
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)azepan-2-yl]methanol
CID 116634251
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)azepan-2-yl]methanol
CID 116634298
[1-(2-Fluoroethyl)azepan-2-yl]methanol
CID 116637492
[1-(3-Fluoropropyl)azepan-2-yl]methanol
CID 116637641

Frequently Asked Questions

What is the IUPAC name of [1-(5-aminopentyl)azepan-2-yl]methanol?
The IUPAC name of [1-(5-aminopentyl)azepan-2-yl]methanol (CID 116634289) is [1-(5-aminopentyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(5-aminopentyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(5-aminopentyl)azepan-2-yl]methanol is NCCCCCN1CCCCCC1CO.
What is the InChIKey of [1-(5-aminopentyl)azepan-2-yl]methanol?
The InChIKey is YMLDLOPMUASMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c13-8-4-2-6-10-14-9-5-1-3-7-12(14)11-15/h12,15H,1-11,13H2.
What are the key properties of [1-(5-aminopentyl)azepan-2-yl]methanol?
[1-(5-aminopentyl)azepan-2-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-aminopentyl)azepan-2-yl]methanol is sourced from PubChem (CID 116634289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).