2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine

C17H32N4 — CID 104575874

IUPAC2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(C2CCC(C(C)(C)C)CC2)c(N)n1N
InChIInChI=1S/C17H32N4/c1-16(2,3)12-9-7-11(8-10-12)13-14(18)21(19)15(20-13)17(4,5)6/h11-12H,7-10,18-19H2,1-6H3
InChIKeyHNSPNEJLURIGSE-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.80
Rot. Bonds1

About 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine

2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine (PubChem CID 104575874) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine
PubChem CID104575874
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine
SMILESCC(C)(C)c1nc(C2CCC(C(C)(C)C)CC2)c(N)n1N
InChIInChI=1S/C17H32N4/c1-16(2,3)12-9-7-11(8-10-12)13-14(18)21(19)15(20-13)17(4,5)6/h11-12H,7-10,18-19H2,1-6H3
InChIKeyHNSPNEJLURIGSE-UHFFFAOYSA-N
XLogP3.80
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine?
The IUPAC name of 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine (CID 104575874) is 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine?
The canonical SMILES for 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine is CC(C)(C)c1nc(C2CCC(C(C)(C)C)CC2)c(N)n1N.
What is the InChIKey of 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine?
The InChIKey is HNSPNEJLURIGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-16(2,3)12-9-7-11(8-10-12)13-14(18)21(19)15(20-13)17(4,5)6/h11-12H,7-10,18-19H2,1-6H3.
What are the key properties of 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine?
2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-tert-butylcyclohexyl)imidazole-1,5-diamine is sourced from PubChem (CID 104575874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).