1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine

C18H33N3 — CID 114531439

IUPAC1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(CCc2nccn2C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33N3/c1-17(2,3)15-6-9-18(10-7-15,14-19-4)11-8-16-20-12-13-21(16)5/h12-13,15,19H,6-11,14H2,1-5H3
InChIKeyATJKBWUZZNQATK-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.79
Rot. Bonds5

About 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine (PubChem CID 114531439) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
PubChem CID114531439
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
SMILESCNCC1(CCc2nccn2C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H33N3/c1-17(2,3)15-6-9-18(10-7-15,14-19-4)11-8-16-20-12-13-21(16)5/h12-13,15,19H,6-11,14H2,1-5H3
InChIKeyATJKBWUZZNQATK-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(1-methylimidazol-2-yl)ethyl]cyclopentyl]methyl]propan-2-amine
CID 114531428
1-(4-tert-butyl-1-pentylcyclohexyl)-N-methylmethanamine
CID 63509791
N-methyl-1-[2-[2-(1-methylimidazol-2-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanamine
CID 114531410
2-[2-[1-(bromomethyl)cyclopentyl]ethyl]-1-methylimidazole
CID 114532734
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039
1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 114529396
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114532598
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
3-methyl-3-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114532157

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine (CID 114531439) is 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine is CNCC1(CCc2nccn2C)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is ATJKBWUZZNQATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-17(2,3)15-6-9-18(10-7-15,14-19-4)11-8-16-20-12-13-21(16)5/h12-13,15,19H,6-11,14H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 291.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 114531439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).