3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane

C16H32N2 — CID 64870416

IUPAC3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
SMILESCCCC(C)CN1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C16H32N2/c1-5-6-13(2)11-18-12-16(4,15-7-8-15)17-10-9-14(18)3/h13-15,17H,5-12H2,1-4H3
InChIKeyOGJAYOJVHAAUBV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds5

About 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane

3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane (PubChem CID 64870416) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
PubChem CID64870416
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
SMILESCCCC(C)CN1CC(C)(C2CC2)NCCC1C
InChIInChI=1S/C16H32N2/c1-5-6-13(2)11-18-12-16(4,15-7-8-15)17-10-9-14(18)3/h13-15,17H,5-12H2,1-4H3
InChIKeyOGJAYOJVHAAUBV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane 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 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane (CID 64870416) is 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane is CCCC(C)CN1CC(C)(C2CC2)NCCC1C.
What is the InChIKey of 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane?
The InChIKey is OGJAYOJVHAAUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-6-13(2)11-18-12-16(4,15-7-8-15)17-10-9-14(18)3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane?
3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane has a molecular weight of 252.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane is sourced from PubChem (CID 64870416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).