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

C16H23N — CID 79598122

IUPACN-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine
SMILESCCc1ccc(C(C)=CCCNC2CC2)cc1
InChIInChI=1S/C16H23N/c1-3-14-6-8-15(9-7-14)13(2)5-4-12-17-16-10-11-16/h5-9,16-17H,3-4,10-12H2,1-2H3
InChIKeyNDMPRBOWPZZLAT-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.79
Rot. Bonds6

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

N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine (PubChem CID 79598122) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine
PubChem CID79598122
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine
SMILESCCc1ccc(C(C)=CCCNC2CC2)cc1
InChIInChI=1S/C16H23N/c1-3-14-6-8-15(9-7-14)13(2)5-4-12-17-16-10-11-16/h5-9,16-17H,3-4,10-12H2,1-2H3
InChIKeyNDMPRBOWPZZLAT-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-diethoxyphenyl)pent-3-enyl]cyclopropanamine
CID 79598433
N-[4-(4-ethylphenyl)but-3-enyl]cyclopropanamine
CID 79593449
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
N-[4-(2,4-dimethylphenyl)pent-3-enyl]cyclopropanamine
CID 79608046
N-[4-[3-(trifluoromethoxy)phenyl]pent-3-enyl]cyclopropanamine
CID 79598631
N-[4-(2,5-dimethylphenyl)pent-3-enyl]cyclopropanamine
CID 79599402
N-[(Z)-4-(2,6-difluoro-3-methylphenyl)pent-3-enyl]cyclopropanamine
CID 82827774
1-[(E)-but-2-en-2-yl]-4-ethylbenzene
CID 19784779
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine (CID 79598122) is N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine is CCc1ccc(C(C)=CCCNC2CC2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine?
The InChIKey is NDMPRBOWPZZLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-14-6-8-15(9-7-14)13(2)5-4-12-17-16-10-11-16/h5-9,16-17H,3-4,10-12H2,1-2H3.
What are the key properties of N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine?
N-[4-(4-ethylphenyl)pent-3-enyl]cyclopropanamine has a molecular weight of 229.37 g/mol, XLogP of 3.79, 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)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 79598122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).