[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine

C16H29N3 — CID 62351078

IUPAC[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine
SMILESCc1ncn(C2CC(C(C)(C)C)CCC2CN)c1C
InChIInChI=1S/C16H29N3/c1-11-12(2)19(10-18-11)15-8-14(16(3,4)5)7-6-13(15)9-17/h10,13-15H,6-9,17H2,1-5H3
InChIKeySMNBPMYRRGNKNE-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.46
Rot. Bonds2

About [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine

[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine (PubChem CID 62351078) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine
PubChem CID62351078
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine
SMILESCc1ncn(C2CC(C(C)(C)C)CCC2CN)c1C
InChIInChI=1S/C16H29N3/c1-11-12(2)19(10-18-11)15-8-14(16(3,4)5)7-6-13(15)9-17/h10,13-15H,6-9,17H2,1-5H3
InChIKeySMNBPMYRRGNKNE-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine (CID 62351078) is [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine is Cc1ncn(C2CC(C(C)(C)C)CCC2CN)c1C.
What is the InChIKey of [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine?
The InChIKey is SMNBPMYRRGNKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11-12(2)19(10-18-11)15-8-14(16(3,4)5)7-6-13(15)9-17/h10,13-15H,6-9,17H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine?
[4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4,5-dimethylimidazol-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 62351078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).