3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine

C19H30N2 — CID 64921747

IUPAC3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(N3CCCC3)cc2)C1C
InChIInChI=1S/C19H30N2/c1-3-17-8-11-19(15(17)2)20-14-16-6-9-18(10-7-16)21-12-4-5-13-21/h6-7,9-10,15,17,19-20H,3-5,8,11-14H2,1-2H3
InChIKeyNRKDRZHAKGXOHU-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.20
Rot. Bonds5

About 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine

3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine (PubChem CID 64921747) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine
PubChem CID64921747
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine
SMILESCCC1CCC(NCc2ccc(N3CCCC3)cc2)C1C
InChIInChI=1S/C19H30N2/c1-3-17-8-11-19(15(17)2)20-14-16-6-9-18(10-7-16)21-12-4-5-13-21/h6-7,9-10,15,17,19-20H,3-5,8,11-14H2,1-2H3
InChIKeyNRKDRZHAKGXOHU-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine (CID 64921747) is 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine is CCC1CCC(NCc2ccc(N3CCCC3)cc2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is NRKDRZHAKGXOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-17-8-11-19(15(17)2)20-14-16-6-9-18(10-7-16)21-12-4-5-13-21/h6-7,9-10,15,17,19-20H,3-5,8,11-14H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine?
3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64921747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).