4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine

C14H27N3 — CID 106573765

IUPAC4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)CCC(C)C)c(NC(C)C)n1
InChIInChI=1S/C14H27N3/c1-10(2)7-8-13(6)17-9-12(5)16-14(17)15-11(3)4/h9-11,13H,7-8H2,1-6H3,(H,15,16)
InChIKeyNPQKZODTASTDBX-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.01
Rot. Bonds6

About 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine

4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106573765) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
PubChem CID106573765
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)CCC(C)C)c(NC(C)C)n1
InChIInChI=1S/C14H27N3/c1-10(2)7-8-13(6)17-9-12(5)16-14(17)15-11(3)4/h9-11,13H,7-8H2,1-6H3,(H,15,16)
InChIKeyNPQKZODTASTDBX-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106582849
4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106581340
4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106571858
N-cyclopentyl-4-methyl-1-(6-methylheptan-2-yl)imidazol-2-amine
CID 106568675
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
1-hexan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106569750
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
4-methyl-1-(1-phenylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106569605
1-[4-(dimethylamino)butan-2-yl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106567753
1-(1-cyclohexylethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106571270
1-heptan-2-yl-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106568882
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine (CID 106573765) is 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine is Cc1cn(C(C)CCC(C)C)c(NC(C)C)n1.
What is the InChIKey of 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is NPQKZODTASTDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-10(2)7-8-13(6)17-9-12(5)16-14(17)15-11(3)4/h9-11,13H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 237.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106573765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).