N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine

C18H33N3 — CID 106577487

IUPACN-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine
SMILESCCCCCC(C)(C)Cn1ccnc1NC1CCCCC1
InChIInChI=1S/C18H33N3/c1-4-5-9-12-18(2,3)15-21-14-13-19-17(21)20-16-10-7-6-8-11-16/h13-14,16H,4-12,15H2,1-3H3,(H,19,20)
InChIKeyYULHUFOGEXDRRZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.23
Rot. Bonds8

About N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine

N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine (PubChem CID 106577487) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine
PubChem CID106577487
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine
SMILESCCCCCC(C)(C)Cn1ccnc1NC1CCCCC1
InChIInChI=1S/C18H33N3/c1-4-5-9-12-18(2,3)15-21-14-13-19-17(21)20-16-10-7-6-8-11-16/h13-14,16H,4-12,15H2,1-3H3,(H,19,20)
InChIKeyYULHUFOGEXDRRZ-UHFFFAOYSA-N
XLogP5.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine (CID 106577487) is N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine is CCCCCC(C)(C)Cn1ccnc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
The InChIKey is YULHUFOGEXDRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-5-9-12-18(2,3)15-21-14-13-19-17(21)20-16-10-7-6-8-11-16/h13-14,16H,4-12,15H2,1-3H3,(H,19,20).
What are the key properties of N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine?
N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine has a molecular weight of 291.48 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,2-dimethylheptyl)imidazol-2-amine is sourced from PubChem (CID 106577487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).