3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine

C20H31N — CID 64593706

IUPAC3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
SMILESCC(C)c1ccc(C(C)NC2CCCC(C3CC3)C2)cc1
InChIInChI=1S/C20H31N/c1-14(2)16-7-9-17(10-8-16)15(3)21-20-6-4-5-19(13-20)18-11-12-18/h7-10,14-15,18-21H,4-6,11-13H2,1-3H3
InChIKeyGEHDVUSOHFHILP-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.43
Rot. Bonds5

About 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine

3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine (PubChem CID 64593706) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
PubChem CID64593706
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine
SMILESCC(C)c1ccc(C(C)NC2CCCC(C3CC3)C2)cc1
InChIInChI=1S/C20H31N/c1-14(2)16-7-9-17(10-8-16)15(3)21-20-6-4-5-19(13-20)18-11-12-18/h7-10,14-15,18-21H,4-6,11-13H2,1-3H3
InChIKeyGEHDVUSOHFHILP-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine (CID 64593706) is 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine is CC(C)c1ccc(C(C)NC2CCCC(C3CC3)C2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is GEHDVUSOHFHILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-14(2)16-7-9-17(10-8-16)15(3)21-20-6-4-5-19(13-20)18-11-12-18/h7-10,14-15,18-21H,4-6,11-13H2,1-3H3.
What are the key properties of 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine?
3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(4-propan-2-ylphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64593706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).