N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine

C15H21N — CID 63078455

IUPACN-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
SMILESC=CCC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21N/c1-3-8-14(16-4-2)15(11-12-15)13-9-6-5-7-10-13/h3,5-7,9-10,14,16H,1,4,8,11-12H2,2H3
InChIKeyAIWRDVLALOKDDG-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine

N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine (PubChem CID 63078455) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
PubChem CID63078455
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
SMILESC=CCC(NCC)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21N/c1-3-8-14(16-4-2)15(11-12-15)13-9-6-5-7-10-13/h3,5-7,9-10,14,16H,1,4,8,11-12H2,2H3
InChIKeyAIWRDVLALOKDDG-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.27
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

N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
CID 63078290
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)but-3-en-1-amine
CID 79185073
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
1-(1-phenylcyclopentyl)but-3-enylhydrazine
CID 105217493
N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine
CID 63080234
N-ethyl-4,4,4-trifluoro-1-(1-phenylcyclopropyl)butan-1-amine
CID 64567436
N-ethyl-3-methyl-1-(1-phenylcyclopropyl)hexan-1-amine
CID 63417923
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
N-ethyl-2-(2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62879879
N-ethyl-4-methyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417631
N-ethyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417587
N-ethyl-2-methyl-1-(1-phenylcyclopropyl)prop-2-en-1-amine
CID 79177271

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine (CID 63078455) is N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine is C=CCC(NCC)C1(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
The InChIKey is AIWRDVLALOKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-8-14(16-4-2)15(11-12-15)13-9-6-5-7-10-13/h3,5-7,9-10,14,16H,1,4,8,11-12H2,2H3.
What are the key properties of N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine?
N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-phenylcyclopropyl)but-3-en-1-amine is sourced from PubChem (CID 63078455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).