3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine

C14H19N3 — CID 144713805

IUPAC3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine
SMILESC=C/N=C(\C=C)CCNCCc1ccccn1
InChIInChI=1S/C14H19N3/c1-3-13(16-4-2)8-11-15-12-9-14-7-5-6-10-17-14/h3-7,10,15H,1-2,8-9,11-12H2/b16-13+
InChIKeyFMBWHTKWYSRBOO-DTQAZKPQSA-N
MW229.33 g/mol
LogP2.37
Rot. Bonds8

About 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine

3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine (PubChem CID 144713805) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine.

Molecular Properties

Compound Name3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine
PubChem CID144713805
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine
SMILESC=C/N=C(\C=C)CCNCCc1ccccn1
InChIInChI=1S/C14H19N3/c1-3-13(16-4-2)8-11-15-12-9-14-7-5-6-10-17-14/h3-7,10,15H,1-2,8-9,11-12H2/b16-13+
InChIKeyFMBWHTKWYSRBOO-DTQAZKPQSA-N
XLogP2.37
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853
2-[3-(2-pyridin-2-ylethylamino)propoxy]ethanol
CID 106310050
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147

Frequently Asked Questions

What is the IUPAC name of 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine?
The IUPAC name of 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine (CID 144713805) is 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine.
What is the SMILES notation for 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine?
The canonical SMILES for 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine is C=C/N=C(\C=C)CCNCCc1ccccn1.
What is the InChIKey of 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine?
The InChIKey is FMBWHTKWYSRBOO-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-13(16-4-2)8-11-15-12-9-14-7-5-6-10-17-14/h3-7,10,15H,1-2,8-9,11-12H2/b16-13+.
What are the key properties of 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine?
3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylimino-N-(2-pyridin-2-ylethyl)pent-4-en-1-amine is sourced from PubChem (CID 144713805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).