1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine

C16H29N3 — CID 106579835

IUPAC1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine
SMILESCC(C)n1ccnc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29N3/c1-12(2)19-8-7-17-14(19)18-13-9-15(3,4)11-16(5,6)10-13/h7-8,12-13H,9-11H2,1-6H3,(H,17,18)
InChIKeyZJXRJPZFJYJITM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.48
Rot. Bonds3

About 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine

1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine (PubChem CID 106579835) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine
PubChem CID106579835
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine
SMILESCC(C)n1ccnc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H29N3/c1-12(2)19-8-7-17-14(19)18-13-9-15(3,4)11-16(5,6)10-13/h7-8,12-13H,9-11H2,1-6H3,(H,17,18)
InChIKeyZJXRJPZFJYJITM-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine?
The IUPAC name of 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine (CID 106579835) is 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine.
What is the SMILES notation for 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine?
The canonical SMILES for 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine is CC(C)n1ccnc1NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine?
The InChIKey is ZJXRJPZFJYJITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)19-8-7-17-14(19)18-13-9-15(3,4)11-16(5,6)10-13/h7-8,12-13H,9-11H2,1-6H3,(H,17,18).
What are the key properties of 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine?
1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(3,3,5,5-tetramethylcyclohexyl)imidazol-2-amine is sourced from PubChem (CID 106579835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).