(E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine

C14H20N2 — CID 139569340

IUPAC(E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine
SMILESC/C=C\c1ncccc1/C=C/CCNCC
InChIInChI=1S/C14H20N2/c1-3-8-14-13(10-7-12-16-14)9-5-6-11-15-4-2/h3,5,7-10,12,15H,4,6,11H2,1-2H3/b8-3-,9-5+
InChIKeyPQBRFDGSQPFOPQ-ZNZATSSGSA-N
MW216.33 g/mol
LogP3.13
Rot. Bonds6

About (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine

(E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine (PubChem CID 139569340) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine
PubChem CID139569340
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine
SMILESC/C=C\c1ncccc1/C=C/CCNCC
InChIInChI=1S/C14H20N2/c1-3-8-14-13(10-7-12-16-14)9-5-6-11-15-4-2/h3,5,7-10,12,15H,4,6,11H2,1-2H3/b8-3-,9-5+
InChIKeyPQBRFDGSQPFOPQ-ZNZATSSGSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenyl)-N-ethylbut-3-en-1-amine
CID 79590816
2-[(E)-4-(ethylamino)but-1-enyl]-N-methylaniline
CID 135213041
N-ethyl-4-[2-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79592283
4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495257
2-(4-hydroxybut-1-enyl)pyridine-3-carbaldehyde
CID 170476320
N-ethyl-4-isoquinolin-4-ylbut-3-en-1-amine
CID 79593389
(E)-N-ethylpent-3-en-1-amine;hydrochloride
CID 155386330
N-ethyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79593603
2-(4-oxobut-1-enyl)pyridine-3-carbaldehyde
CID 170481627
(E)-N-ethyl-4-(3-propylphenyl)but-3-en-1-amine
CID 116546326
(E)-N-ethyl-5-pyridin-3-ylpent-3-en-1-amine
CID 104737312
4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 79739424

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine?
The IUPAC name of (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine (CID 139569340) is (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine?
The canonical SMILES for (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine is C/C=C\c1ncccc1/C=C/CCNCC.
What is the InChIKey of (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine?
The InChIKey is PQBRFDGSQPFOPQ-ZNZATSSGSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-8-14-13(10-7-12-16-14)9-5-6-11-15-4-2/h3,5,7-10,12,15H,4,6,11H2,1-2H3/b8-3-,9-5+.
What are the key properties of (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine?
(E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4-[2-[(Z)-prop-1-enyl]-3-pyridinyl]but-3-en-1-amine is sourced from PubChem (CID 139569340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).