N-ethyl-N-pent-1-en-3-ylaniline

C13H19N — CID 141318240

IUPACN-ethyl-N-pent-1-en-3-ylaniline
SMILESC=CC(CC)N(CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-12(5-2)14(6-3)13-10-8-7-9-11-13/h4,7-12H,1,5-6H2,2-3H3
InChIKeyCFKBGFYFSNTRGL-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.48
Rot. Bonds5

About N-ethyl-N-pent-1-en-3-ylaniline

N-ethyl-N-pent-1-en-3-ylaniline (PubChem CID 141318240) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-ethyl-N-pent-1-en-3-ylaniline.

Molecular Properties

Compound NameN-ethyl-N-pent-1-en-3-ylaniline
PubChem CID141318240
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-ethyl-N-pent-1-en-3-ylaniline
SMILESC=CC(CC)N(CC)c1ccccc1
InChIInChI=1S/C13H19N/c1-4-12(5-2)14(6-3)13-10-8-7-9-11-13/h4,7-12H,1,5-6H2,2-3H3
InChIKeyCFKBGFYFSNTRGL-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-N-pent-1-en-3-ylaniline 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

1-N'-ethyl-1-N'-phenylpropane-1,1-diamine;hydrochloride
CID 19706422
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
2-(N-ethylanilino)butanenitrile
CID 21413076
(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol
CID 178185639
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
3-(N-ethylanilino)pentanenitrile
CID 174634114
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
(1S)-1-(N-ethylanilino)propane-1,3-diol
CID 124514584
N-[(1S)-1-phenylethyl]-N-prop-2-enylaniline
CID 93477605
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
(NE)-N-[2-[N-(3-methylbut-2-enyl)anilino]butylidene]hydroxylamine
CID 15644935
ethenyl-ethyl-diphenylphosphanium
CID 175448312

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pent-1-en-3-ylaniline?
The IUPAC name of N-ethyl-N-pent-1-en-3-ylaniline (CID 141318240) is N-ethyl-N-pent-1-en-3-ylaniline.
What is the SMILES notation for N-ethyl-N-pent-1-en-3-ylaniline?
The canonical SMILES for N-ethyl-N-pent-1-en-3-ylaniline is C=CC(CC)N(CC)c1ccccc1.
What is the InChIKey of N-ethyl-N-pent-1-en-3-ylaniline?
The InChIKey is CFKBGFYFSNTRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-12(5-2)14(6-3)13-10-8-7-9-11-13/h4,7-12H,1,5-6H2,2-3H3.
What are the key properties of N-ethyl-N-pent-1-en-3-ylaniline?
N-ethyl-N-pent-1-en-3-ylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pent-1-en-3-ylaniline is sourced from PubChem (CID 141318240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).