N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine

C17H31N3 — CID 81031185

IUPACN-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCn1ccnc1C1CC(C)(C)CCC1CNC(C)(C)C
InChIInChI=1S/C17H31N3/c1-16(2,3)19-12-13-7-8-17(4,5)11-14(13)15-18-9-10-20(15)6/h9-10,13-14,19H,7-8,11-12H2,1-6H3
InChIKeyOCMHPOUXNDCRNX-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.72
Rot. Bonds3

About N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81031185) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81031185
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCn1ccnc1C1CC(C)(C)CCC1CNC(C)(C)C
InChIInChI=1S/C17H31N3/c1-16(2,3)19-12-13-7-8-17(4,5)11-14(13)15-18-9-10-20(15)6/h9-10,13-14,19H,7-8,11-12H2,1-6H3
InChIKeyOCMHPOUXNDCRNX-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81030137
2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81024634
4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
CID 81014981
N-[[2-(5-bromo-3-methyltriazol-4-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 106463997
[2-(1-ethylimidazol-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012620
N-[(4,4-dimethyl-2-thiophen-2-ylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030814
N-[[4,4-dimethyl-2-(2-methylphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023531
N-[[2-(1-ethylimidazol-2-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021832
N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81022991
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039
N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025904

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 81031185) is N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine is Cn1ccnc1C1CC(C)(C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OCMHPOUXNDCRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-16(2,3)19-12-13-7-8-17(4,5)11-14(13)15-18-9-10-20(15)6/h9-10,13-14,19H,7-8,11-12H2,1-6H3.
What are the key properties of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81031185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).