4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine

C15H27N3 — CID 62563536

IUPAC4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCn2ccnc2C(C)C)CC1
InChIInChI=1S/C15H27N3/c1-12(2)15-17-9-11-18(15)10-8-16-14-6-4-13(3)5-7-14/h9,11-14,16H,4-8,10H2,1-3H3
InChIKeyDUFSDCRXOIEQEZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.17
Rot. Bonds5

About 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine

4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 62563536) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
PubChem CID62563536
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCn2ccnc2C(C)C)CC1
InChIInChI=1S/C15H27N3/c1-12(2)15-17-9-11-18(15)10-8-16-14-6-4-13(3)5-7-14/h9,11-14,16H,4-8,10H2,1-3H3
InChIKeyDUFSDCRXOIEQEZ-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexanamine
CID 55087304
N-[3-(1-propylimidazol-2-yl)butyl]cyclopropanamine
CID 81019314
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
1-(3-cyclopropylpropyl)-2-propan-2-ylimidazole
CID 167916960
1-butyl-2-propan-2-ylimidazole
CID 11506521
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine
CID 62563884
2-(cyclopropylamino)-4-(2-propan-2-ylimidazol-1-yl)butanamide
CID 63053675
1-(3-methoxyphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]piperidin-4-amine
CID 131892843
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255
2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile
CID 63907936

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine (CID 62563536) is 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine is CC1CCC(NCCn2ccnc2C(C)C)CC1.
What is the InChIKey of 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is DUFSDCRXOIEQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)15-17-9-11-18(15)10-8-16-14-6-4-13(3)5-7-14/h9,11-14,16H,4-8,10H2,1-3H3.
What are the key properties of 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine?
4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62563536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).