N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine

C16H27N3 — CID 106572754

IUPACN-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine
SMILESCc1cn(C(C)CC2CC2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-12-11-19(13(2)10-14-8-9-14)16(17-12)18-15-6-4-3-5-7-15/h11,13-15H,3-10H2,1-2H3,(H,17,18)
InChIKeyLWOKBIIRCPYKLI-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds5

About N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine

N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106572754) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106572754
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine
SMILESCc1cn(C(C)CC2CC2)c(NC2CCCCC2)n1
InChIInChI=1S/C16H27N3/c1-12-11-19(13(2)10-14-8-9-14)16(17-12)18-15-6-4-3-5-7-15/h11,13-15H,3-10H2,1-2H3,(H,17,18)
InChIKeyLWOKBIIRCPYKLI-UHFFFAOYSA-N
XLogP4.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine (CID 106572754) is N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine is Cc1cn(C(C)CC2CC2)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is LWOKBIIRCPYKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-11-19(13(2)10-14-8-9-14)16(17-12)18-15-6-4-3-5-7-15/h11,13-15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine?
N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 261.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(1-cyclopropylpropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106572754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).