1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine

C14H20N4 — CID 82539232

IUPAC1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NCCCn2ccnc2)c1
InChIInChI=1S/C14H20N4/c1-17(2)14-6-3-5-13(11-14)16-7-4-9-18-10-8-15-12-18/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3
InChIKeyCRVARWXOSQNIBD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.45
Rot. Bonds6

About 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 82539232) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID82539232
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCN(C)c1cccc(NCCCn2ccnc2)c1
InChIInChI=1S/C14H20N4/c1-17(2)14-6-3-5-13(11-14)16-7-4-9-18-10-8-15-12-18/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3
InChIKeyCRVARWXOSQNIBD-UHFFFAOYSA-N
XLogP2.45
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.45
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,4-trimethylbenzene-1,3-diamine
CID 115378188
3-fluoro-N-(2-imidazol-1-ylethyl)aniline
CID 62564347
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 54961387
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
4-N-(3-imidazol-1-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 28994097
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
3-N,3-N-dimethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,3-diamine
CID 113326394
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
5-fluoro-2-N-(3-imidazol-1-ylpropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135106368

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 82539232) is 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine is CN(C)c1cccc(NCCCn2ccnc2)c1.
What is the InChIKey of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is CRVARWXOSQNIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17(2)14-6-3-5-13(11-14)16-7-4-9-18-10-8-15-12-18/h3,5-6,8,10-12,16H,4,7,9H2,1-2H3.
What are the key properties of 1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.45, 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-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 82539232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).