1-(1H-azepin-4-yl)butan-1-ol

C10H15NO — CID 139729817

IUPAC1-(1H-azepin-4-yl)butan-1-ol
SMILESCCCC(O)C1=CC=CNC=C1
InChIInChI=1S/C10H15NO/c1-2-4-10(12)9-5-3-7-11-8-6-9/h3,5-8,10-12H,2,4H2,1H3
InChIKeyDOCDQZZUCKNDAN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.70
Rot. Bonds3

About 1-(1H-azepin-4-yl)butan-1-ol

1-(1H-azepin-4-yl)butan-1-ol (PubChem CID 139729817) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1H-azepin-4-yl)butan-1-ol.

Molecular Properties

Compound Name1-(1H-azepin-4-yl)butan-1-ol
PubChem CID139729817
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(1H-azepin-4-yl)butan-1-ol
SMILESCCCC(O)C1=CC=CNC=C1
InChIInChI=1S/C10H15NO/c1-2-4-10(12)9-5-3-7-11-8-6-9/h3,5-8,10-12H,2,4H2,1H3
InChIKeyDOCDQZZUCKNDAN-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18004599
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CID 69520904
(6-methyl-1H-azepin-4-yl)methanol
CID 70472138
(6-ethyl-1H-azepin-4-yl)methanol
CID 70472240
(3-methyl-1H-azepin-4-yl)methanol
CID 70473243
1-(1H-azepin-4-yl)ethanol
CID 89156860
2-(1H-azepin-4-yl)ethanol
CID 89156861
(3E)-3-[(Z)-2-aminoethenyl]hexa-3,5-dien-2-ol
CID 89374291
1-(2-amino-1H-pyridin-4-ylidene)butan-2-ol
CID 90703707
1-(1,2-Dihydropyridin-5-yl)propan-2-ol
CID 129171628
(3R,4E)-4-[(Z)-2-aminoethenyl]-2-methylhepta-1,4-dien-3-ol
CID 134476399

Frequently Asked Questions

What is the IUPAC name of 1-(1H-azepin-4-yl)butan-1-ol?
The IUPAC name of 1-(1H-azepin-4-yl)butan-1-ol (CID 139729817) is 1-(1H-azepin-4-yl)butan-1-ol.
What is the SMILES notation for 1-(1H-azepin-4-yl)butan-1-ol?
The canonical SMILES for 1-(1H-azepin-4-yl)butan-1-ol is CCCC(O)C1=CC=CNC=C1.
What is the InChIKey of 1-(1H-azepin-4-yl)butan-1-ol?
The InChIKey is DOCDQZZUCKNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-4-10(12)9-5-3-7-11-8-6-9/h3,5-8,10-12H,2,4H2,1H3.
What are the key properties of 1-(1H-azepin-4-yl)butan-1-ol?
1-(1H-azepin-4-yl)butan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-azepin-4-yl)butan-1-ol is sourced from PubChem (CID 139729817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).