2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine

C10H20N4 — CID 114988235

IUPAC2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NCCCC(C)C)c(N)[nH]1
InChIInChI=1S/C10H20N4/c1-7(2)5-4-6-12-10-9(11)13-8(3)14-10/h7,12H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyHCFXMKDEXXFRLR-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.15
Rot. Bonds5

About 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine

2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine (PubChem CID 114988235) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine
PubChem CID114988235
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(NCCCC(C)C)c(N)[nH]1
InChIInChI=1S/C10H20N4/c1-7(2)5-4-6-12-10-9(11)13-8(3)14-10/h7,12H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyHCFXMKDEXXFRLR-UHFFFAOYSA-N
XLogP2.15
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]propanamide
CID 82239157
2-methyl-4-N-[3-(N-methylanilino)propyl]-1H-imidazole-4,5-diamine
CID 55012088
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
CID 114999049
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528
6-N,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
CID 107816078
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine (CID 114988235) is 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine is Cc1nc(NCCCC(C)C)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine?
The InChIKey is HCFXMKDEXXFRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-7(2)5-4-6-12-10-9(11)13-8(3)14-10/h7,12H,4-6,11H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine has a molecular weight of 196.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-methylpentyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114988235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).