2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine

C13H15N — CID 130839568

IUPAC2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine
SMILESC#CC(NC1CC1C)c1ccccc1
InChIInChI=1S/C13H15N/c1-3-12(14-13-9-10(13)2)11-7-5-4-6-8-11/h1,4-8,10,12-14H,9H2,2H3
InChIKeyDBMXNLQWBNLEKE-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.36
Rot. Bonds3

About 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine

2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine (PubChem CID 130839568) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine
PubChem CID130839568
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine
SMILESC#CC(NC1CC1C)c1ccccc1
InChIInChI=1S/C13H15N/c1-3-12(14-13-9-10(13)2)11-7-5-4-6-8-11/h1,4-8,10,12-14H,9H2,2H3
InChIKeyDBMXNLQWBNLEKE-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-methyl-1-phenylprop-2-yn-1-amine
CID 142199409
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
2-[(2-methylcyclopropyl)amino]-N-phenylpropanamide
CID 62397765
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
2-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropan-1-amine
CID 62397879
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43724333
N-(2,2-dimethyl-1-phenylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 43693331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine?
The IUPAC name of 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine (CID 130839568) is 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine?
The canonical SMILES for 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine is C#CC(NC1CC1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine?
The InChIKey is DBMXNLQWBNLEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-12(14-13-9-10(13)2)11-7-5-4-6-8-11/h1,4-8,10,12-14H,9H2,2H3.
What are the key properties of 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine?
2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylprop-2-ynyl)cyclopropan-1-amine is sourced from PubChem (CID 130839568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).