N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine

C20H33N — CID 63417631

IUPACN-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine
SMILESCCNC(CCC(C)C)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H33N/c1-4-21-19(14-13-17(2)3)20(15-9-6-10-16-20)18-11-7-5-8-12-18/h5,7-8,11-12,17,19,21H,4,6,9-10,13-16H2,1-3H3
InChIKeyGWFHPWAZDUESBU-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.30
Rot. Bonds7

About N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine

N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine (PubChem CID 63417631) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine
PubChem CID63417631
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine
SMILESCCNC(CCC(C)C)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H33N/c1-4-21-19(14-13-17(2)3)20(15-9-6-10-16-20)18-11-7-5-8-12-18/h5,7-8,11-12,17,19,21H,4,6,9-10,13-16H2,1-3H3
InChIKeyGWFHPWAZDUESBU-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine (CID 63417631) is N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine is CCNC(CCC(C)C)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine?
The InChIKey is GWFHPWAZDUESBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-21-19(14-13-17(2)3)20(15-9-6-10-16-20)18-11-7-5-8-12-18/h5,7-8,11-12,17,19,21H,4,6,9-10,13-16H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine?
N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine is sourced from PubChem (CID 63417631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).