1,7,7-trimethylazepan-3-ol

C9H19NO — CID 118230264

IUPAC1,7,7-trimethylazepan-3-ol
SMILESCN1CC(O)CCCC1(C)C
InChIInChI=1S/C9H19NO/c1-9(2)6-4-5-8(11)7-10(9)3/h8,11H,4-7H2,1-3H3
InChIKeyHXTVSKIOAWOQBR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds

About 1,7,7-trimethylazepan-3-ol

1,7,7-trimethylazepan-3-ol (PubChem CID 118230264) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,7,7-trimethylazepan-3-ol.

Molecular Properties

Compound Name1,7,7-trimethylazepan-3-ol
PubChem CID118230264
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1,7,7-trimethylazepan-3-ol
SMILESCN1CC(O)CCCC1(C)C
InChIInChI=1S/C9H19NO/c1-9(2)6-4-5-8(11)7-10(9)3/h8,11H,4-7H2,1-3H3
InChIKeyHXTVSKIOAWOQBR-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7,7-trimethylazepan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethylazepan-3-ol?
The IUPAC name of 1,7,7-trimethylazepan-3-ol (CID 118230264) is 1,7,7-trimethylazepan-3-ol.
What is the SMILES notation for 1,7,7-trimethylazepan-3-ol?
The canonical SMILES for 1,7,7-trimethylazepan-3-ol is CN1CC(O)CCCC1(C)C.
What is the InChIKey of 1,7,7-trimethylazepan-3-ol?
The InChIKey is HXTVSKIOAWOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)6-4-5-8(11)7-10(9)3/h8,11H,4-7H2,1-3H3.
What are the key properties of 1,7,7-trimethylazepan-3-ol?
1,7,7-trimethylazepan-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethylazepan-3-ol is sourced from PubChem (CID 118230264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).