1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine

C14H25N3 — CID 106574581

IUPAC1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1C1CCC(C)C(C)C1
InChIInChI=1S/C14H25N3/c1-10(2)16-14-15-7-8-17(14)13-6-5-11(3)12(4)9-13/h7-8,10-13H,5-6,9H2,1-4H3,(H,15,16)
InChIKeySDPIIEDUYOWZTB-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.70
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine

1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106574581) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106574581
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1C1CCC(C)C(C)C1
InChIInChI=1S/C14H25N3/c1-10(2)16-14-15-7-8-17(14)13-6-5-11(3)12(4)9-13/h7-8,10-13H,5-6,9H2,1-4H3,(H,15,16)
InChIKeySDPIIEDUYOWZTB-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine (CID 106574581) is 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is SDPIIEDUYOWZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)16-14-15-7-8-17(14)13-6-5-11(3)12(4)9-13/h7-8,10-13H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine?
1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 235.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106574581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).