2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine

C14H17N — CID 62341051

IUPAC2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
SMILESCC1(C)CC1NCC#Cc1ccccc1
InChIInChI=1S/C14H17N/c1-14(2)11-13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,15H,10-11H2,1-2H3
InChIKeyADULYDQHVINENO-UHFFFAOYSA-N
MW199.30 g/mol
LogP2.43
Rot. Bonds2

About 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine

2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine (PubChem CID 62341051) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
PubChem CID62341051
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
SMILESCC1(C)CC1NCC#Cc1ccccc1
InChIInChI=1S/C14H17N/c1-14(2)11-13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,15H,10-11H2,1-2H3
InChIKeyADULYDQHVINENO-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 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 ≤ 52.43
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 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine (CID 62341051) is 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine is CC1(C)CC1NCC#Cc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
The InChIKey is ADULYDQHVINENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-14(2)11-13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,15H,10-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine?
2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine has a molecular weight of 199.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine is sourced from PubChem (CID 62341051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).