(1-butylazepan-3-yl)methanol

C11H23NO — CID 54295965

IUPAC(1-butylazepan-3-yl)methanol
SMILESCCCCN1CCCCC(CO)C1
InChIInChI=1S/C11H23NO/c1-2-3-7-12-8-5-4-6-11(9-12)10-13/h11,13H,2-10H2,1H3
InChIKeySAUXSYQKHZADMA-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds4

About (1-butylazepan-3-yl)methanol

(1-butylazepan-3-yl)methanol (PubChem CID 54295965) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1-butylazepan-3-yl)methanol.

Molecular Properties

Compound Name(1-butylazepan-3-yl)methanol
PubChem CID54295965
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1-butylazepan-3-yl)methanol
SMILESCCCCN1CCCCC(CO)C1
InChIInChI=1S/C11H23NO/c1-2-3-7-12-8-5-4-6-11(9-12)10-13/h11,13H,2-10H2,1H3
InChIKeySAUXSYQKHZADMA-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-butylazepan-3-yl)methanol?
The IUPAC name of (1-butylazepan-3-yl)methanol (CID 54295965) is (1-butylazepan-3-yl)methanol.
What is the SMILES notation for (1-butylazepan-3-yl)methanol?
The canonical SMILES for (1-butylazepan-3-yl)methanol is CCCCN1CCCCC(CO)C1.
What is the InChIKey of (1-butylazepan-3-yl)methanol?
The InChIKey is SAUXSYQKHZADMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-7-12-8-5-4-6-11(9-12)10-13/h11,13H,2-10H2,1H3.
What are the key properties of (1-butylazepan-3-yl)methanol?
(1-butylazepan-3-yl)methanol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylazepan-3-yl)methanol is sourced from PubChem (CID 54295965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).