(1-pentan-2-ylazepan-2-yl)methanol

C12H25NO — CID 107886050

IUPAC(1-pentan-2-ylazepan-2-yl)methanol
SMILESCCCC(C)N1CCCCCC1CO
InChIInChI=1S/C12H25NO/c1-3-7-11(2)13-9-6-4-5-8-12(13)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyZKMZKNVUHVCHMU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds4

About (1-pentan-2-ylazepan-2-yl)methanol

(1-pentan-2-ylazepan-2-yl)methanol (PubChem CID 107886050) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1-pentan-2-ylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-pentan-2-ylazepan-2-yl)methanol
PubChem CID107886050
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1-pentan-2-ylazepan-2-yl)methanol
SMILESCCCC(C)N1CCCCCC1CO
InChIInChI=1S/C12H25NO/c1-3-7-11(2)13-9-6-4-5-8-12(13)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyZKMZKNVUHVCHMU-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-pentan-2-ylazepan-2-yl)methanol?
The IUPAC name of (1-pentan-2-ylazepan-2-yl)methanol (CID 107886050) is (1-pentan-2-ylazepan-2-yl)methanol.
What is the SMILES notation for (1-pentan-2-ylazepan-2-yl)methanol?
The canonical SMILES for (1-pentan-2-ylazepan-2-yl)methanol is CCCC(C)N1CCCCCC1CO.
What is the InChIKey of (1-pentan-2-ylazepan-2-yl)methanol?
The InChIKey is ZKMZKNVUHVCHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-7-11(2)13-9-6-4-5-8-12(13)10-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of (1-pentan-2-ylazepan-2-yl)methanol?
(1-pentan-2-ylazepan-2-yl)methanol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentan-2-ylazepan-2-yl)methanol is sourced from PubChem (CID 107886050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).