1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine

C16H29N3 — CID 107189998

IUPAC1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3/c1-4-10-19-11-9-18-15(19)12-14(17)13-7-5-6-8-16(13,2)3/h9,11,13-14H,4-8,10,12,17H2,1-3H3
InChIKeyUMHBJQRNLMAYTH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.38
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine

1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine (PubChem CID 107189998) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
PubChem CID107189998
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1CC(N)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3/c1-4-10-19-11-9-18-15(19)12-14(17)13-7-5-6-8-16(13,2)3/h9,11,13-14H,4-8,10,12,17H2,1-3H3
InChIKeyUMHBJQRNLMAYTH-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105012449
1-(2-methylcyclopentyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 107189999
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 107004731
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
1-(4-propylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79761510
1-[(1-propylimidazol-2-yl)methyl]cycloheptan-1-ol
CID 79744670
1-(2,2-dimethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 107189965
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 106635030

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine (CID 107189998) is 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1CC(N)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is UMHBJQRNLMAYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-10-19-11-9-18-15(19)12-14(17)13-7-5-6-8-16(13,2)3/h9,11,13-14H,4-8,10,12,17H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine?
1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 107189998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).