2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine

C18H33N3 — CID 103968580

IUPAC2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H33N3/c1-14(2)9-19-10-16-11-20-13-21(16)15-7-17(3,4)12-18(5,6)8-15/h11,13-15,19H,7-10,12H2,1-6H3
InChIKeyQCAWMWRITIZWOO-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.41
Rot. Bonds5

About 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 103968580) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID103968580
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H33N3/c1-14(2)9-19-10-16-11-20-13-21(16)15-7-17(3,4)12-18(5,6)8-15/h11,13-15,19H,7-10,12H2,1-6H3
InChIKeyQCAWMWRITIZWOO-UHFFFAOYSA-N
XLogP4.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]ethanamine
CID 103968579
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151641
N-[[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66150600
N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 66140393
[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine
CID 130909334
1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one
CID 114165352
1-[3-(3,3-dimethylcyclopentyl)imidazol-4-yl]-N-methylmethanamine
CID 114541577
1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66151421
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114127097
N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107165435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine (CID 103968580) is 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cncn1C1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is QCAWMWRITIZWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-14(2)9-19-10-16-11-20-13-21(16)15-7-17(3,4)12-18(5,6)8-15/h11,13-15,19H,7-10,12H2,1-6H3.
What are the key properties of 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103968580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).