1-(azepan-3-yl)pentan-1-ol

C11H23NO — CID 67828850

IUPAC1-(azepan-3-yl)pentan-1-ol
SMILESCCCCC(O)C1CCCCNC1
InChIInChI=1S/C11H23NO/c1-2-3-7-11(13)10-6-4-5-8-12-9-10/h10-13H,2-9H2,1H3
InChIKeyZSAKQTCCIWDLKK-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds4

About 1-(azepan-3-yl)pentan-1-ol

1-(azepan-3-yl)pentan-1-ol (PubChem CID 67828850) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(azepan-3-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(azepan-3-yl)pentan-1-ol
PubChem CID67828850
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(azepan-3-yl)pentan-1-ol
SMILESCCCCC(O)C1CCCCNC1
InChIInChI=1S/C11H23NO/c1-2-3-7-11(13)10-6-4-5-8-12-9-10/h10-13H,2-9H2,1H3
InChIKeyZSAKQTCCIWDLKK-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-4-ylpentan-1-ol
CID 19599407
5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
3-amino-1-piperidin-3-ylpropan-1-ol
CID 82596067
3-pentan-2-ylazepane
CID 107889859
1-cyclopropylpentan-1-ol
CID 551238
1-cyclooctylundecan-1-ol
CID 80603651
1-piperidin-3-ylhex-4-yn-1-ol
CID 104809639
1-piperidin-4-ylundecan-1-ol
CID 80560155
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058
(1R)-2-cyclopropyl-1-[(3S)-piperidin-3-yl]ethanol
CID 124570391
2-cyclobutyl-1-piperidin-3-ylethanol
CID 105440851
3-(2-ethylhexyl)azepane
CID 104680647

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-3-yl)pentan-1-ol?
The IUPAC name of 1-(azepan-3-yl)pentan-1-ol (CID 67828850) is 1-(azepan-3-yl)pentan-1-ol.
What is the SMILES notation for 1-(azepan-3-yl)pentan-1-ol?
The canonical SMILES for 1-(azepan-3-yl)pentan-1-ol is CCCCC(O)C1CCCCNC1.
What is the InChIKey of 1-(azepan-3-yl)pentan-1-ol?
The InChIKey is ZSAKQTCCIWDLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-7-11(13)10-6-4-5-8-12-9-10/h10-13H,2-9H2,1H3.
What are the key properties of 1-(azepan-3-yl)pentan-1-ol?
1-(azepan-3-yl)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-3-yl)pentan-1-ol is sourced from PubChem (CID 67828850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).