3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane

C15H24N2 — CID 64871903

IUPAC3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane
SMILESCCC1CN(Cc2cccc(C)c2)CCCN1
InChIInChI=1S/C15H24N2/c1-3-15-12-17(9-5-8-16-15)11-14-7-4-6-13(2)10-14/h4,6-7,10,15-16H,3,5,8-9,11-12H2,1-2H3
InChIKeyFJNXTAQMCYAHPB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.57
Rot. Bonds3

About 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane

3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane (PubChem CID 64871903) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane
PubChem CID64871903
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane
SMILESCCC1CN(Cc2cccc(C)c2)CCCN1
InChIInChI=1S/C15H24N2/c1-3-15-12-17(9-5-8-16-15)11-14-7-4-6-13(2)10-14/h4,6-7,10,15-16H,3,5,8-9,11-12H2,1-2H3
InChIKeyFJNXTAQMCYAHPB-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-[(3-methylphenyl)methyl]-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-ethyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870904
3-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64834386
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethyl-1,4-diazepane
CID 107888718
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
3-benzyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 82251351
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64857464
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
3-ethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950792
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepane
CID 64859026
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
3-ethyl-1-[(3-methyl-4-pyridinyl)methyl]-1,4-diazepane
CID 114702006

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane?
The IUPAC name of 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane (CID 64871903) is 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane.
What is the SMILES notation for 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane?
The canonical SMILES for 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane is CCC1CN(Cc2cccc(C)c2)CCCN1.
What is the InChIKey of 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane?
The InChIKey is FJNXTAQMCYAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-15-12-17(9-5-8-16-15)11-14-7-4-6-13(2)10-14/h4,6-7,10,15-16H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane?
3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane has a molecular weight of 232.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-methylphenyl)methyl]-1,4-diazepane is sourced from PubChem (CID 64871903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).