1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine

C16H29N3 — CID 114533039

IUPAC1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1CCc1nccn1C
InChIInChI=1S/C16H29N3/c1-16(2)8-7-14(12-17-3)13(11-16)5-6-15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyAQXAXYAVMPCFHV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.01
Rot. Bonds5

About 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine

1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine (PubChem CID 114533039) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
PubChem CID114533039
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1CCc1nccn1C
InChIInChI=1S/C16H29N3/c1-16(2)8-7-14(12-17-3)13(11-16)5-6-15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyAQXAXYAVMPCFHV-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031185
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81030137
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114531439
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
CID 81014981
4-[2-(1-methylimidazol-2-yl)ethyl]thiolan-3-ol
CID 114531133
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine (CID 114533039) is 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1CCc1nccn1C.
What is the InChIKey of 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is AQXAXYAVMPCFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-16(2)8-7-14(12-17-3)13(11-16)5-6-15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3.
What are the key properties of 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114533039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).