N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine

C13H15N — CID 104995936

IUPACN-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine
SMILESC#CC(NC)C1CC1c1ccccc1
InChIInChI=1S/C13H15N/c1-3-13(14-2)12-9-11(12)10-7-5-4-6-8-10/h1,4-8,11-14H,9H2,2H3
InChIKeyBMENXFYOWNGHNQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine

N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine (PubChem CID 104995936) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine
PubChem CID104995936
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine
SMILESC#CC(NC)C1CC1c1ccccc1
InChIInChI=1S/C13H15N/c1-3-13(14-2)12-9-11(12)10-7-5-4-6-8-10/h1,4-8,11-14H,9H2,2H3
InChIKeyBMENXFYOWNGHNQ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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

2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116719956
1-cyclobutyl-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517534
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
N-methyl-1-(5-methyloxolan-3-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105052716
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
2-methoxy-N,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517722
1-(2-phenylcyclopropyl)but-3-ynylhydrazine
CID 105281555
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
CID 116660529
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517453
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine (CID 104995936) is N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine is C#CC(NC)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine?
The InChIKey is BMENXFYOWNGHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-13(14-2)12-9-11(12)10-7-5-4-6-8-10/h1,4-8,11-14H,9H2,2H3.
What are the key properties of N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine?
N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine is sourced from PubChem (CID 104995936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).