3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane

C16H24N2 — CID 64949769

IUPAC3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane
SMILESCC1CC1N1CCCNC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-13-10-16(13)18-9-5-8-17-15(12-18)11-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12H2,1H3
InChIKeyJHKGKSGYGPLRHV-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.30
Rot. Bonds3

About 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane

3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane (PubChem CID 64949769) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane.

Molecular Properties

Compound Name3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane
PubChem CID64949769
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane
SMILESCC1CC1N1CCCNC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2/c1-13-10-16(13)18-9-5-8-17-15(12-18)11-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12H2,1H3
InChIKeyJHKGKSGYGPLRHV-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-1-(2-methylcyclopropyl)-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

Related Compounds

3-benzyl-1-(2-methylcyclopropyl)piperazine
CID 64952571
3-benzyl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943337
3-benzyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,4-diazepane
CID 80725354
3-benzyl-1-(3,4-dimethylcyclohexyl)piperazine
CID 64952857
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
3-benzyl-1-(2-methoxyethyl)-1,4-diazepane
CID 64858991
3-benzyl-1-(3-ethylpentan-3-yl)-1,4-diazepane
CID 65043688
3-benzyl-1-(1-methoxypropan-2-yl)-1,4-diazepane
CID 64940163
3-(3-benzyl-1,4-diazepan-1-yl)thiolane 1,1-dioxide
CID 64944072
3-benzyl-1-cyclopropylpiperazine
CID 52992061
3-benzyl-1-cyclooctylpiperazine
CID 64924383
3-benzyl-1-[(E)-but-2-enyl]-1,4-diazepane
CID 114013963

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane?
The IUPAC name of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane (CID 64949769) is 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane.
What is the SMILES notation for 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane?
The canonical SMILES for 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane is CC1CC1N1CCCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane?
The InChIKey is JHKGKSGYGPLRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-10-16(13)18-9-5-8-17-15(12-18)11-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12H2,1H3.
What are the key properties of 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane?
3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane has a molecular weight of 244.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methylcyclopropyl)-1,4-diazepane is sourced from PubChem (CID 64949769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).