3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine

C20H33N — CID 64922146

IUPAC3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(CC(C)C)cc2)C1C
InChIInChI=1S/C20H33N/c1-6-18-11-12-20(15(18)4)21-16(5)19-9-7-17(8-10-19)13-14(2)3/h7-10,14-16,18,20-21H,6,11-13H2,1-5H3
InChIKeyXPWNNBMXGNAIAK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds6

About 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine

3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine (PubChem CID 64922146) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
PubChem CID64922146
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
SMILESCCC1CCC(NC(C)c2ccc(CC(C)C)cc2)C1C
InChIInChI=1S/C20H33N/c1-6-18-11-12-20(15(18)4)21-16(5)19-9-7-17(8-10-19)13-14(2)3/h7-10,14-16,18,20-21H,6,11-13H2,1-5H3
InChIKeyXPWNNBMXGNAIAK-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine (CID 64922146) is 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine is CCC1CCC(NC(C)c2ccc(CC(C)C)cc2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine?
The InChIKey is XPWNNBMXGNAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-18-11-12-20(15(18)4)21-16(5)19-9-7-17(8-10-19)13-14(2)3/h7-10,14-16,18,20-21H,6,11-13H2,1-5H3.
What are the key properties of 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine?
3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine is sourced from PubChem (CID 64922146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).