1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine

C15H23N — CID 43484724

IUPAC1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)C2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-3-12-8-10-14(11-9-12)15(16-2)13-6-4-5-7-13/h8-11,13,15-16H,3-7H2,1-2H3
InChIKeyAOTBUTPESCPVSP-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.70
Rot. Bonds4

About 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine

1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 43484724) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID43484724
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)C2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-3-12-8-10-14(11-9-12)15(16-2)13-6-4-5-7-13/h8-11,13,15-16H,3-7H2,1-2H3
InChIKeyAOTBUTPESCPVSP-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine (CID 43484724) is 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)C2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is AOTBUTPESCPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-12-8-10-14(11-9-12)15(16-2)13-6-4-5-7-13/h8-11,13,15-16H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine?
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 217.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43484724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).