N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine

C17H25N — CID 3066892

IUPACN-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)C(C)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C17H25N/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16/h4,9-12,14,16H,1,5-8,13H2,2-3H3
InChIKeyZYQKNVJKRNLGJN-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.52
Rot. Bonds5

About N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine

N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine (PubChem CID 3066892) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
PubChem CID3066892
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)C(C)c1ccc(C2CCCC2)cc1
InChIInChI=1S/C17H25N/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16/h4,9-12,14,16H,1,5-8,13H2,2-3H3
InChIKeyZYQKNVJKRNLGJN-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine (CID 3066892) is N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine is C=CCN(C)C(C)c1ccc(C2CCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine?
The InChIKey is ZYQKNVJKRNLGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16/h4,9-12,14,16H,1,5-8,13H2,2-3H3.
What are the key properties of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine?
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 3066892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).