N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine

C15H21N — CID 79593449

IUPACN-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
SMILESCCc1ccc(C=CCCNC2CC2)cc1
InChIInChI=1S/C15H21N/c1-2-13-6-8-14(9-7-13)5-3-4-12-16-15-10-11-15/h3,5-9,15-16H,2,4,10-12H2,1H3
InChIKeyIAXVZYPCNVPZAT-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.40
Rot. Bonds6

About N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine

N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine (PubChem CID 79593449) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
PubChem CID79593449
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
SMILESCCc1ccc(C=CCCNC2CC2)cc1
InChIInChI=1S/C15H21N/c1-2-13-6-8-14(9-7-13)5-3-4-12-16-15-10-11-15/h3,5-9,15-16H,2,4,10-12H2,1H3
InChIKeyIAXVZYPCNVPZAT-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-tert-butylphenyl)but-3-enyl]cyclopropanamine
CID 79592331
N-[(E)-4-(3-chloro-4-methylphenyl)but-3-enyl]cyclopropanamine
CID 107561085
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
4-(4-ethylphenyl)-N-propan-2-ylbut-3-en-1-amine
CID 79592990
N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine
CID 79598122
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
N-[(E)-4-quinolin-7-ylbut-3-enyl]cyclopropanamine
CID 81222001
N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
CID 79592096
N-[4-(2,5-difluorophenyl)but-3-enyl]cyclopropanamine
CID 79590863
N-[(E)-4-(2-propoxyphenyl)but-3-enyl]cyclopropanamine
CID 104663313
1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
CID 22991130

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine (CID 79593449) is N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine is CCc1ccc(C=CCCNC2CC2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine?
The InChIKey is IAXVZYPCNVPZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-13-6-8-14(9-7-13)5-3-4-12-16-15-10-11-15/h3,5-9,15-16H,2,4,10-12H2,1H3.
What are the key properties of N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine?
N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine has a molecular weight of 215.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine is sourced from PubChem (CID 79593449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).