(1-heptylazepan-2-yl)methanol

C14H29NO — CID 15563974

IUPAC(1-heptylazepan-2-yl)methanol
SMILESCCCCCCCN1CCCCCC1CO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-8-11-15-12-9-6-7-10-14(15)13-16/h14,16H,2-13H2,1H3
InChIKeyJUYWRSRRIAAFEI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.19
Rot. Bonds7

About (1-heptylazepan-2-yl)methanol

(1-heptylazepan-2-yl)methanol (PubChem CID 15563974) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (1-heptylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-heptylazepan-2-yl)methanol
PubChem CID15563974
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(1-heptylazepan-2-yl)methanol
SMILESCCCCCCCN1CCCCCC1CO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-8-11-15-12-9-6-7-10-14(15)13-16/h14,16H,2-13H2,1H3
InChIKeyJUYWRSRRIAAFEI-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of (1-heptylazepan-2-yl)methanol?
The IUPAC name of (1-heptylazepan-2-yl)methanol (CID 15563974) is (1-heptylazepan-2-yl)methanol.
What is the SMILES notation for (1-heptylazepan-2-yl)methanol?
The canonical SMILES for (1-heptylazepan-2-yl)methanol is CCCCCCCN1CCCCCC1CO.
What is the InChIKey of (1-heptylazepan-2-yl)methanol?
The InChIKey is JUYWRSRRIAAFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-8-11-15-12-9-6-7-10-14(15)13-16/h14,16H,2-13H2,1H3.
What are the key properties of (1-heptylazepan-2-yl)methanol?
(1-heptylazepan-2-yl)methanol has a molecular weight of 227.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-heptylazepan-2-yl)methanol is sourced from PubChem (CID 15563974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).