4-ethyl-1-propan-2-ylazepan-4-ol

C11H23NO — CID 65077625

IUPAC4-ethyl-1-propan-2-ylazepan-4-ol
SMILESCCC1(O)CCCN(C(C)C)CC1
InChIInChI=1S/C11H23NO/c1-4-11(13)6-5-8-12(9-7-11)10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyDARVVNLCRRYSDW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds2

About 4-ethyl-1-propan-2-ylazepan-4-ol

4-ethyl-1-propan-2-ylazepan-4-ol (PubChem CID 65077625) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylazepan-4-ol
PubChem CID65077625
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-ethyl-1-propan-2-ylazepan-4-ol
SMILESCCC1(O)CCCN(C(C)C)CC1
InChIInChI=1S/C11H23NO/c1-4-11(13)6-5-8-12(9-7-11)10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyDARVVNLCRRYSDW-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-propan-2-ylazepan-4-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 4-ethyl-1-propan-2-ylazepan-4-ol?
The IUPAC name of 4-ethyl-1-propan-2-ylazepan-4-ol (CID 65077625) is 4-ethyl-1-propan-2-ylazepan-4-ol.
What is the SMILES notation for 4-ethyl-1-propan-2-ylazepan-4-ol?
The canonical SMILES for 4-ethyl-1-propan-2-ylazepan-4-ol is CCC1(O)CCCN(C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-propan-2-ylazepan-4-ol?
The InChIKey is DARVVNLCRRYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-11(13)6-5-8-12(9-7-11)10(2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-ylazepan-4-ol?
4-ethyl-1-propan-2-ylazepan-4-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylazepan-4-ol is sourced from PubChem (CID 65077625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).