1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine

C13H23N3 — CID 66151421

IUPAC1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N3/c1-13(2)6-4-11(5-7-13)16-10-15-9-12(16)8-14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyRXMYEXYYYQNALS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds3

About 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine

1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine (PubChem CID 66151421) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
PubChem CID66151421
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
SMILESCNCc1cncn1C1CCC(C)(C)CC1
InChIInChI=1S/C13H23N3/c1-13(2)6-4-11(5-7-13)16-10-15-9-12(16)8-14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyRXMYEXYYYQNALS-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine (CID 66151421) is 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine is CNCc1cncn1C1CCC(C)(C)CC1.
What is the InChIKey of 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
The InChIKey is RXMYEXYYYQNALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2)6-4-11(5-7-13)16-10-15-9-12(16)8-14-3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine?
1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66151421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).