1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C15H22N4 — CID 115378188

IUPAC1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCCCn2ccnc2)cc1N(C)C
InChIInChI=1S/C15H22N4/c1-13-5-6-14(11-15(13)18(2)3)17-7-4-9-19-10-8-16-12-19/h5-6,8,10-12,17H,4,7,9H2,1-3H3
InChIKeyACMLWYGNLMBXAS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.76
Rot. Bonds6

About 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115378188) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115378188
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCCCn2ccnc2)cc1N(C)C
InChIInChI=1S/C15H22N4/c1-13-5-6-14(11-15(13)18(2)3)17-7-4-9-19-10-8-16-12-19/h5-6,8,10-12,17H,4,7,9H2,1-3H3
InChIKeyACMLWYGNLMBXAS-UHFFFAOYSA-N
XLogP2.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82539232
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818
N-(3-imidazol-1-ylpropyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66481735
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
7-(3-imidazol-1-ylpropylamino)-2,3-dimethylxanthen-9-one
CID 24747878
3-N,3-N,4-trimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,3-diamine
CID 82865842
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115378188) is 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(NCCCn2ccnc2)cc1N(C)C.
What is the InChIKey of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is ACMLWYGNLMBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13-5-6-14(11-15(13)18(2)3)17-7-4-9-19-10-8-16-12-19/h5-6,8,10-12,17H,4,7,9H2,1-3H3.
What are the key properties of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115378188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).