N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine

C14H19N — CID 116660529

IUPACN-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
SMILESC=CCC(NC)C1CC1c1ccccc1
InChIInChI=1S/C14H19N/c1-3-7-14(15-2)13-10-12(13)11-8-5-4-6-9-11/h3-6,8-9,12-15H,1,7,10H2,2H3
InChIKeyYENNJCYPVIEEMW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.95
Rot. Bonds5

About N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine

N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine (PubChem CID 116660529) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
PubChem CID116660529
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
SMILESC=CCC(NC)C1CC1c1ccccc1
InChIInChI=1S/C14H19N/c1-3-7-14(15-2)13-10-12(13)11-8-5-4-6-9-11/h3-6,8-9,12-15H,1,7,10H2,2H3
InChIKeyYENNJCYPVIEEMW-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517453
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
2-cycloheptyl-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 105052609
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
[2-(2-bromophenyl)-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105215061
N-methyl-1-(2-phenylcyclopropyl)-4-thiophen-2-ylbutan-1-amine
CID 105189048
N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine
CID 104995936
[3-methoxy-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105267261
1-(2-phenylcyclopropyl)hex-5-en-1-amine
CID 104987040

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine?
The IUPAC name of N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine (CID 116660529) is N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine?
The canonical SMILES for N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine is C=CCC(NC)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine?
The InChIKey is YENNJCYPVIEEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-7-14(15-2)13-10-12(13)11-8-5-4-6-9-11/h3-6,8-9,12-15H,1,7,10H2,2H3.
What are the key properties of N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine?
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.95, 5 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)but-3-en-1-amine is sourced from PubChem (CID 116660529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).