4-methyl-1-(2-methylpropyl)azepan-4-ol

C11H23NO — CID 59603507

IUPAC4-methyl-1-(2-methylpropyl)azepan-4-ol
SMILESCC(C)CN1CCCC(C)(O)CC1
InChIInChI=1S/C11H23NO/c1-10(2)9-12-7-4-5-11(3,13)6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyRRNWMZGQKVVDPR-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds2

About 4-methyl-1-(2-methylpropyl)azepan-4-ol

4-methyl-1-(2-methylpropyl)azepan-4-ol (PubChem CID 59603507) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)azepan-4-ol
PubChem CID59603507
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-methyl-1-(2-methylpropyl)azepan-4-ol
SMILESCC(C)CN1CCCC(C)(O)CC1
InChIInChI=1S/C11H23NO/c1-10(2)9-12-7-4-5-11(3,13)6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyRRNWMZGQKVVDPR-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)azepan-4-ol?
The IUPAC name of 4-methyl-1-(2-methylpropyl)azepan-4-ol (CID 59603507) is 4-methyl-1-(2-methylpropyl)azepan-4-ol.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)azepan-4-ol?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)azepan-4-ol is CC(C)CN1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)azepan-4-ol?
The InChIKey is RRNWMZGQKVVDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)9-12-7-4-5-11(3,13)6-8-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylpropyl)azepan-4-ol?
4-methyl-1-(2-methylpropyl)azepan-4-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)azepan-4-ol is sourced from PubChem (CID 59603507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).