[1-(3-aminopropyl)azepan-2-yl]methanol

C10H22N2O — CID 116634288

IUPAC[1-(3-aminopropyl)azepan-2-yl]methanol
SMILESNCCCN1CCCCCC1CO
InChIInChI=1S/C10H22N2O/c11-6-4-8-12-7-3-1-2-5-10(12)9-13/h10,13H,1-9,11H2
InChIKeyKTAUAMQOYJTFKF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.57
Rot. Bonds4

About [1-(3-aminopropyl)azepan-2-yl]methanol

[1-(3-aminopropyl)azepan-2-yl]methanol (PubChem CID 116634288) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [1-(3-aminopropyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-aminopropyl)azepan-2-yl]methanol
PubChem CID116634288
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[1-(3-aminopropyl)azepan-2-yl]methanol
SMILESNCCCN1CCCCCC1CO
InChIInChI=1S/C10H22N2O/c11-6-4-8-12-7-3-1-2-5-10(12)9-13/h10,13H,1-9,11H2
InChIKeyKTAUAMQOYJTFKF-UHFFFAOYSA-N
XLogP0.57
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Azepan-2-yl)methanol
CID 2849412
(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
(S)-azepan-2-ylmethanol
CID 870731
[1-(3-Aminopropyl)piperidin-2-yl]methanol
CID 4712465
(1-Methylazepan-2-yl)methanol
CID 15563970

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminopropyl)azepan-2-yl]methanol?
The IUPAC name of [1-(3-aminopropyl)azepan-2-yl]methanol (CID 116634288) is [1-(3-aminopropyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(3-aminopropyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(3-aminopropyl)azepan-2-yl]methanol is NCCCN1CCCCCC1CO.
What is the InChIKey of [1-(3-aminopropyl)azepan-2-yl]methanol?
The InChIKey is KTAUAMQOYJTFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c11-6-4-8-12-7-3-1-2-5-10(12)9-13/h10,13H,1-9,11H2.
What are the key properties of [1-(3-aminopropyl)azepan-2-yl]methanol?
[1-(3-aminopropyl)azepan-2-yl]methanol has a molecular weight of 186.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminopropyl)azepan-2-yl]methanol is sourced from PubChem (CID 116634288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).