1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine

C18H33N3 — CID 81025168

IUPAC1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCn1ccnc1CC1CC(C(C)(C)C)CCC1CNC
InChIInChI=1S/C18H33N3/c1-6-21-10-9-20-17(21)12-15-11-16(18(2,3)4)8-7-14(15)13-19-5/h9-10,14-16,19H,6-8,11-13H2,1-5H3
InChIKeyFJQUEPOFLRLYBG-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.74
Rot. Bonds5

About 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 81025168) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID81025168
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCn1ccnc1CC1CC(C(C)(C)C)CCC1CNC
InChIInChI=1S/C18H33N3/c1-6-21-10-9-20-17(21)12-15-11-16(18(2,3)4)8-7-14(15)13-19-5/h9-10,14-16,19H,6-8,11-13H2,1-5H3
InChIKeyFJQUEPOFLRLYBG-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-tert-butyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030981
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
1-[4-tert-butyl-2-(thiophen-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81030835
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine (CID 81025168) is 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine is CCn1ccnc1CC1CC(C(C)(C)C)CCC1CNC.
What is the InChIKey of 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is FJQUEPOFLRLYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-21-10-9-20-17(21)12-15-11-16(18(2,3)4)8-7-14(15)13-19-5/h9-10,14-16,19H,6-8,11-13H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 291.48 g/mol, XLogP of 3.74, 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-2-[(1-ethylimidazol-2-yl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81025168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).