N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine

C14H25N3 — CID 106574619

IUPACN-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1NC1CCC(C)C(C)C1
InChIInChI=1S/C14H25N3/c1-5-17-9-12(4)15-14(17)16-13-7-6-10(2)11(3)8-13/h9-11,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyWRAHICPZBFJXQN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine

N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine (PubChem CID 106574619) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine
PubChem CID106574619
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine
SMILESCCn1cc(C)nc1NC1CCC(C)C(C)C1
InChIInChI=1S/C14H25N3/c1-5-17-9-12(4)15-14(17)16-13-7-6-10(2)11(3)8-13/h9-11,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyWRAHICPZBFJXQN-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine (CID 106574619) is N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine is CCn1cc(C)nc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine?
The InChIKey is WRAHICPZBFJXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-17-9-12(4)15-14(17)16-13-7-6-10(2)11(3)8-13/h9-11,13H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine?
N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106574619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).