N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine

C18H27N — CID 81024481

IUPACN-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCc1ccc(C2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C18H27N/c1-2-14-7-9-15(10-8-14)18-6-4-3-5-16(18)13-19-17-11-12-17/h7-10,16-19H,2-6,11-13H2,1H3
InChIKeyZYCHWQKXOLHJJJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.27
Rot. Bonds5

About N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine

N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81024481) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81024481
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCc1ccc(C2CCCCC2CNC2CC2)cc1
InChIInChI=1S/C18H27N/c1-2-14-7-9-15(10-8-14)18-6-4-3-5-16(18)13-19-17-11-12-17/h7-10,16-19H,2-6,11-13H2,1H3
InChIKeyZYCHWQKXOLHJJJ-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine (CID 81024481) is N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine is CCc1ccc(C2CCCCC2CNC2CC2)cc1.
What is the InChIKey of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is ZYCHWQKXOLHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-14-7-9-15(10-8-14)18-6-4-3-5-16(18)13-19-17-11-12-17/h7-10,16-19H,2-6,11-13H2,1H3.
What are the key properties of N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine?
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 257.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81024481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).