N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride

C17H24ClN — CID 3066893

IUPACN-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride
SMILESC#CCN(C)C(C)c1ccc(C2CCCC2)cc1.Cl
InChIInChI=1S/C17H23N.ClH/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16;/h1,9-12,14,16H,5-8,13H2,2-3H3;1H
InChIKeyCFVCGVBHNKYCTD-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride

N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride (PubChem CID 3066893) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride
PubChem CID3066893
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride
SMILESC#CCN(C)C(C)c1ccc(C2CCCC2)cc1.Cl
InChIInChI=1S/C17H23N.ClH/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16;/h1,9-12,14,16H,5-8,13H2,2-3H3;1H
InChIKeyCFVCGVBHNKYCTD-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride?
The IUPAC name of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride (CID 3066893) is N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride?
The canonical SMILES for N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride is C#CCN(C)C(C)c1ccc(C2CCCC2)cc1.Cl.
What is the InChIKey of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride?
The InChIKey is CFVCGVBHNKYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.ClH/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16;/h1,9-12,14,16H,5-8,13H2,2-3H3;1H.
What are the key properties of N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride?
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 4.39, 4 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-yn-1-amine;hydrochloride is sourced from PubChem (CID 3066893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).