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

C17H31N3 — CID 81031100

IUPACN-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1Cc1nccn1C
InChIInChI=1S/C17H31N3/c1-13(2)19-12-14-6-7-17(3,4)11-15(14)10-16-18-8-9-20(16)5/h8-9,13-15,19H,6-7,10-12H2,1-5H3
InChIKeyIHKAETAFVCGGBP-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.40
Rot. Bonds5

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

N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine (PubChem CID 81031100) 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)methyl]cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
PubChem CID81031100
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C)(C)CC1Cc1nccn1C
InChIInChI=1S/C17H31N3/c1-13(2)19-12-14-6-7-17(3,4)11-15(14)10-16-18-8-9-20(16)5/h8-9,13-15,19H,6-7,10-12H2,1-5H3
InChIKeyIHKAETAFVCGGBP-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
N-[(2,4,4-trimethylcyclohexyl)methyl]propan-2-amine
CID 81030355
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025904
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79761914
N-[(4,4-dimethyl-2-pent-3-ynylcyclohexyl)methyl]propan-2-amine
CID 104813992
N-[[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methyl]propan-2-amine
CID 81031245
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
CID 81031172
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine (CID 81031100) is N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(C)(C)CC1Cc1nccn1C.
What is the InChIKey of N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
The InChIKey is IHKAETAFVCGGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)19-12-14-6-7-17(3,4)11-15(14)10-16-18-8-9-20(16)5/h8-9,13-15,19H,6-7,10-12H2,1-5H3.
What are the key properties of N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine?
N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.40, 5 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)methyl]cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81031100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).