1-cyclopentyl-1-phenylprop-2-yn-1-amine

C14H17N — CID 171097737

IUPAC1-cyclopentyl-1-phenylprop-2-yn-1-amine
SMILESC#CC(N)(c1ccccc1)C1CCCC1
InChIInChI=1S/C14H17N/c1-2-14(15,13-10-6-7-11-13)12-8-4-3-5-9-12/h1,3-5,8-9,13H,6-7,10-11,15H2
InChIKeyDWHNXDQYDGRMSC-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.66
Rot. Bonds2

About 1-cyclopentyl-1-phenylprop-2-yn-1-amine

1-cyclopentyl-1-phenylprop-2-yn-1-amine (PubChem CID 171097737) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-cyclopentyl-1-phenylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-cyclopentyl-1-phenylprop-2-yn-1-amine
PubChem CID171097737
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-cyclopentyl-1-phenylprop-2-yn-1-amine
SMILESC#CC(N)(c1ccccc1)C1CCCC1
InChIInChI=1S/C14H17N/c1-2-14(15,13-10-6-7-11-13)12-8-4-3-5-9-12/h1,3-5,8-9,13H,6-7,10-11,15H2
InChIKeyDWHNXDQYDGRMSC-UHFFFAOYSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
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 1-cyclopentyl-1-phenylprop-2-yn-1-amine?
The IUPAC name of 1-cyclopentyl-1-phenylprop-2-yn-1-amine (CID 171097737) is 1-cyclopentyl-1-phenylprop-2-yn-1-amine.
What is the SMILES notation for 1-cyclopentyl-1-phenylprop-2-yn-1-amine?
The canonical SMILES for 1-cyclopentyl-1-phenylprop-2-yn-1-amine is C#CC(N)(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-phenylprop-2-yn-1-amine?
The InChIKey is DWHNXDQYDGRMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-2-14(15,13-10-6-7-11-13)12-8-4-3-5-9-12/h1,3-5,8-9,13H,6-7,10-11,15H2.
What are the key properties of 1-cyclopentyl-1-phenylprop-2-yn-1-amine?
1-cyclopentyl-1-phenylprop-2-yn-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-phenylprop-2-yn-1-amine is sourced from PubChem (CID 171097737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).