4-(4-methylazepan-1-yl)butan-1-ol

C11H23NO — CID 63214962

IUPAC4-(4-methylazepan-1-yl)butan-1-ol
SMILESCC1CCCN(CCCCO)CC1
InChIInChI=1S/C11H23NO/c1-11-5-4-8-12(9-6-11)7-2-3-10-13/h11,13H,2-10H2,1H3
InChIKeyCCELTCGKTROKSQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds4

About 4-(4-methylazepan-1-yl)butan-1-ol

4-(4-methylazepan-1-yl)butan-1-ol (PubChem CID 63214962) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(4-methylazepan-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-methylazepan-1-yl)butan-1-ol
PubChem CID63214962
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(4-methylazepan-1-yl)butan-1-ol
SMILESCC1CCCN(CCCCO)CC1
InChIInChI=1S/C11H23NO/c1-11-5-4-8-12(9-6-11)7-2-3-10-13/h11,13H,2-10H2,1H3
InChIKeyCCELTCGKTROKSQ-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

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylazepan-1-yl)butanehydrazide
CID 63627733
2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
CID 106708126
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124
6-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-ol
CID 103737785
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide
CID 154671313
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
CID 115873446

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylazepan-1-yl)butan-1-ol?
The IUPAC name of 4-(4-methylazepan-1-yl)butan-1-ol (CID 63214962) is 4-(4-methylazepan-1-yl)butan-1-ol.
What is the SMILES notation for 4-(4-methylazepan-1-yl)butan-1-ol?
The canonical SMILES for 4-(4-methylazepan-1-yl)butan-1-ol is CC1CCCN(CCCCO)CC1.
What is the InChIKey of 4-(4-methylazepan-1-yl)butan-1-ol?
The InChIKey is CCELTCGKTROKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11-5-4-8-12(9-6-11)7-2-3-10-13/h11,13H,2-10H2,1H3.
What are the key properties of 4-(4-methylazepan-1-yl)butan-1-ol?
4-(4-methylazepan-1-yl)butan-1-ol 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 4-(4-methylazepan-1-yl)butan-1-ol is sourced from PubChem (CID 63214962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).