N'-methyl-1-(3-methylimidazol-4-yl)methanediamine

C6H12N4 — CID 170132985

IUPACN'-methyl-1-(3-methylimidazol-4-yl)methanediamine
SMILESCNC(N)c1cncn1C
InChIInChI=1S/C6H12N4/c1-8-6(7)5-3-9-4-10(5)2/h3-4,6,8H,7H2,1-2H3
InChIKeyRGUOVAUNRBLMFI-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.40
Rot. Bonds2

About N'-methyl-1-(3-methylimidazol-4-yl)methanediamine

N'-methyl-1-(3-methylimidazol-4-yl)methanediamine (PubChem CID 170132985) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is N'-methyl-1-(3-methylimidazol-4-yl)methanediamine.

Molecular Properties

Compound NameN'-methyl-1-(3-methylimidazol-4-yl)methanediamine
PubChem CID170132985
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC NameN'-methyl-1-(3-methylimidazol-4-yl)methanediamine
SMILESCNC(N)c1cncn1C
InChIInChI=1S/C6H12N4/c1-8-6(7)5-3-9-4-10(5)2/h3-4,6,8H,7H2,1-2H3
InChIKeyRGUOVAUNRBLMFI-UHFFFAOYSA-N
XLogP-0.40
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358
2,2,2-trifluoro-1-(3-methylimidazol-4-yl)ethanamine
CID 66116728
N,2-dimethyl-1-(3-methylimidazol-4-yl)prop-2-en-1-amine
CID 82896240
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
1-(3,5-dimethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82902598
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
1-cycloheptyl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82932122
N-methyl-1-(3-methylimidazol-4-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 82901718

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(3-methylimidazol-4-yl)methanediamine?
The IUPAC name of N'-methyl-1-(3-methylimidazol-4-yl)methanediamine (CID 170132985) is N'-methyl-1-(3-methylimidazol-4-yl)methanediamine.
What is the SMILES notation for N'-methyl-1-(3-methylimidazol-4-yl)methanediamine?
The canonical SMILES for N'-methyl-1-(3-methylimidazol-4-yl)methanediamine is CNC(N)c1cncn1C.
What is the InChIKey of N'-methyl-1-(3-methylimidazol-4-yl)methanediamine?
The InChIKey is RGUOVAUNRBLMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-8-6(7)5-3-9-4-10(5)2/h3-4,6,8H,7H2,1-2H3.
What are the key properties of N'-methyl-1-(3-methylimidazol-4-yl)methanediamine?
N'-methyl-1-(3-methylimidazol-4-yl)methanediamine has a molecular weight of 140.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(3-methylimidazol-4-yl)methanediamine is sourced from PubChem (CID 170132985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).