(7-octyl-1H-azepin-4-yl)methanol

C15H25NO — CID 174604449

IUPAC(7-octyl-1H-azepin-4-yl)methanol
SMILESCCCCCCCCC1=CC=C(CO)C=CN1
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-15-10-9-14(13-17)11-12-16-15/h9-12,16-17H,2-8,13H2,1H3
InChIKeyFIUJBKRVKQTOOC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.66
Rot. Bonds8

About (7-octyl-1H-azepin-4-yl)methanol

(7-octyl-1H-azepin-4-yl)methanol (PubChem CID 174604449) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (7-octyl-1H-azepin-4-yl)methanol.

Molecular Properties

Compound Name(7-octyl-1H-azepin-4-yl)methanol
PubChem CID174604449
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(7-octyl-1H-azepin-4-yl)methanol
SMILESCCCCCCCCC1=CC=C(CO)C=CN1
InChIInChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-15-10-9-14(13-17)11-12-16-15/h9-12,16-17H,2-8,13H2,1H3
InChIKeyFIUJBKRVKQTOOC-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
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3-octyl-2H-oxazine
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2-heptadecyloxirene
CID 91445376
(2-octylphenyl)methanol
CID 19826681
5-heptyl-2,3-dihydro-1H-pyrrole
CID 141242671
4,5-didecylbenzene-1,2-diol
CID 15667809
2,3-dihexylbenzene-1,4-diol
CID 69329716
undecan-1-ol
CID 122455065
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432

Frequently Asked Questions

What is the IUPAC name of (7-octyl-1H-azepin-4-yl)methanol?
The IUPAC name of (7-octyl-1H-azepin-4-yl)methanol (CID 174604449) is (7-octyl-1H-azepin-4-yl)methanol.
What is the SMILES notation for (7-octyl-1H-azepin-4-yl)methanol?
The canonical SMILES for (7-octyl-1H-azepin-4-yl)methanol is CCCCCCCCC1=CC=C(CO)C=CN1.
What is the InChIKey of (7-octyl-1H-azepin-4-yl)methanol?
The InChIKey is FIUJBKRVKQTOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-4-5-6-7-8-15-10-9-14(13-17)11-12-16-15/h9-12,16-17H,2-8,13H2,1H3.
What are the key properties of (7-octyl-1H-azepin-4-yl)methanol?
(7-octyl-1H-azepin-4-yl)methanol has a molecular weight of 235.37 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-octyl-1H-azepin-4-yl)methanol is sourced from PubChem (CID 174604449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).