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

C13H25N3 — CID 106573986

IUPAC1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCCC(C)CC(C)n1ccnc1NC(C)C
InChIInChI=1S/C13H25N3/c1-6-11(4)9-12(5)16-8-7-14-13(16)15-10(2)3/h7-8,10-12H,6,9H2,1-5H3,(H,14,15)
InChIKeyXMORVCVYLFQDDK-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.70
Rot. Bonds6

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

1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106573986) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
PubChem CID106573986
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCCC(C)CC(C)n1ccnc1NC(C)C
InChIInChI=1S/C13H25N3/c1-6-11(4)9-12(5)16-8-7-14-13(16)15-10(2)3/h7-8,10-12H,6,9H2,1-5H3,(H,14,15)
InChIKeyXMORVCVYLFQDDK-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentan-2-yl-N-propan-2-ylimidazol-2-amine
CID 106555812
1-(4-methylhexan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106574006
1-(1-cyclobutylethyl)-N-propan-2-ylimidazol-2-amine
CID 106582705
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-methyl-1-pentan-3-ylimidazol-2-amine
CID 106555013
1-(1-methoxypropan-2-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567569
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
1-(2-methoxyethyl)-N-(4-methylhexan-2-yl)imidazol-2-amine
CID 106574023
1-[1-(2-fluorophenyl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106564573
1-[1-(dimethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106578657
N-(2-methylpropyl)-1-pentan-2-ylimidazol-2-amine
CID 106555846

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine (CID 106573986) is 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine is CCC(C)CC(C)n1ccnc1NC(C)C.
What is the InChIKey of 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is XMORVCVYLFQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-11(4)9-12(5)16-8-7-14-13(16)15-10(2)3/h7-8,10-12H,6,9H2,1-5H3,(H,14,15).
What are the key properties of 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine?
1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106573986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).