N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine

C16H24N4 — CID 61494615

IUPACN'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)CCCn2ccnc2)c1
InChIInChI=1S/C16H24N4/c1-15-5-2-6-16(13-15)20(10-3-7-17)11-4-9-19-12-8-18-14-19/h2,5-6,8,12-14H,3-4,7,9-11,17H2,1H3
InChIKeyLWVJNJLPAVSGLU-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.44
Rot. Bonds8

About N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine

N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine (PubChem CID 61494615) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
PubChem CID61494615
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)CCCn2ccnc2)c1
InChIInChI=1S/C16H24N4/c1-15-5-2-6-16(13-15)20(10-3-7-17)11-4-9-19-12-8-18-14-19/h2,5-6,8,12-14H,3-4,7,9-11,17H2,1H3
InChIKeyLWVJNJLPAVSGLU-UHFFFAOYSA-N
XLogP2.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine 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

N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111330555
2-[3-chloro-N-(3-imidazol-1-ylpropyl)anilino]acetic acid
CID 61492761
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376570
N'-hydroxy-3-[3-imidazol-1-ylpropyl(methyl)amino]benzenecarboximidamide
CID 76979516
N,N-dibutyl-3-methylaniline
CID 15332677
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82539232

Frequently Asked Questions

What is the IUPAC name of N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine (CID 61494615) is N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine is Cc1cccc(N(CCCN)CCCn2ccnc2)c1.
What is the InChIKey of N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine?
The InChIKey is LWVJNJLPAVSGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-15-5-2-6-16(13-15)20(10-3-7-17)11-4-9-19-12-8-18-14-19/h2,5-6,8,12-14H,3-4,7,9-11,17H2,1H3.
What are the key properties of N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine?
N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 61494615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).