3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

C14H25N3 — CID 79743892

IUPAC3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(Cc2nccn2C)C1
InChIInChI=1S/C14H25N3/c1-11-7-13(2,3)10-14(15,8-11)9-12-16-5-6-17(12)4/h5-6,11H,7-10,15H2,1-4H3
InChIKeyIIUDOPCYRIWBQG-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.51
Rot. Bonds2

About 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine

3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 79743892) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID79743892
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CC(N)(Cc2nccn2C)C1
InChIInChI=1S/C14H25N3/c1-11-7-13(2,3)10-14(15,8-11)9-12-16-5-6-17(12)4/h5-6,11H,7-10,15H2,1-4H3
InChIKeyIIUDOPCYRIWBQG-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 79744907
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79743681
1-[(4-tert-butylphenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 63407683
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 63407936

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine (CID 79743892) is 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is CC1CC(C)(C)CC(N)(Cc2nccn2C)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is IIUDOPCYRIWBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-7-13(2,3)10-14(15,8-11)9-12-16-5-6-17(12)4/h5-6,11H,7-10,15H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine?
3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79743892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).