2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine

C14H21N5 — CID 55012088

IUPAC2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
SMILESCc1nc(NCCCN(C)c2ccccc2)c(N)[nH]1
InChIInChI=1S/C14H21N5/c1-11-17-13(15)14(18-11)16-9-6-10-19(2)12-7-4-3-5-8-12/h3-5,7-8,16H,6,9-10,15H2,1-2H3,(H,17,18)
InChIKeyOJIIGUKSPUTFQV-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine

2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine (PubChem CID 55012088) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
PubChem CID55012088
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
SMILESCc1nc(NCCCN(C)c2ccccc2)c(N)[nH]1
InChIInChI=1S/C14H21N5/c1-11-17-13(15)14(18-11)16-9-6-10-19(2)12-7-4-3-5-8-12/h3-5,7-8,16H,6,9-10,15H2,1-2H3,(H,17,18)
InChIKeyOJIIGUKSPUTFQV-UHFFFAOYSA-N
XLogP2.24
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
3-N-[3-(N-methylanilino)propyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276224
2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine
CID 114988235
4-methyl-1-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 62910733
3-[3-(N-methylanilino)propylamino]-1H-pyrazin-2-one
CID 115656911
5-methyl-3-N-[3-(N-methylanilino)propyl]benzene-1,3-diamine
CID 115980597
N-(4-methoxy-6-methylpyrimidin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 115626951
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
N'-methyl-N-(2-nitro-3-pyridinyl)-N'-phenylpropane-1,3-diamine
CID 115585416
N-(1-ethyl-4-methylimidazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 106556671
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine (CID 55012088) is 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine is Cc1nc(NCCCN(C)c2ccccc2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine?
The InChIKey is OJIIGUKSPUTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-17-13(15)14(18-11)16-9-6-10-19(2)12-7-4-3-5-8-12/h3-5,7-8,16H,6,9-10,15H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine?
2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55012088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).