trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine

C14H17N — CID 141211636

IUPACtrans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine
SMILESCC#Cc1ccc([C@@H]2CC[C@@H](N)C2)cc1
InChIInChI=1S/C14H17N/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15)10-13/h4-7,13-14H,8-10,15H2,1H3/t13-,14-/m1/s1
InChIKeyZLSKCRNFHLBFSD-ZIAGYGMSSA-N
MW199.30 g/mol
LogP2.65
Rot. Bonds1

About trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine

trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine (PubChem CID 141211636) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine
PubChem CID141211636
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Nametrans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine
SMILESCC#Cc1ccc([C@@H]2CC[C@@H](N)C2)cc1
InChIInChI=1S/C14H17N/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15)10-13/h4-7,13-14H,8-10,15H2,1H3/t13-,14-/m1/s1
InChIKeyZLSKCRNFHLBFSD-ZIAGYGMSSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.65
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 trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine (CID 141211636) is trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine is CC#Cc1ccc([C@@H]2CC[C@@H](N)C2)cc1.
What is the InChIKey of trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine?
The InChIKey is ZLSKCRNFHLBFSD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H17N/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15)10-13/h4-7,13-14H,8-10,15H2,1H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine?
trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(4-prop-1-ynylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 141211636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).