1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine

C14H19N3 — CID 67443317

IUPAC1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine
SMILESC=CCNC(=CCc1ccccn1)NCC=C
InChIInChI=1S/C14H19N3/c1-3-10-16-14(17-11-4-2)9-8-13-7-5-6-12-15-13/h3-7,9,12,16-17H,1-2,8,10-11H2
InChIKeyPYCSWUSEYZCNIB-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.02
Rot. Bonds8

About 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine

1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine (PubChem CID 67443317) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine
PubChem CID67443317
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine
SMILESC=CCNC(=CCc1ccccn1)NCC=C
InChIInChI=1S/C14H19N3/c1-3-10-16-14(17-11-4-2)9-8-13-7-5-6-12-15-13/h3-7,9,12,16-17H,1-2,8,10-11H2
InChIKeyPYCSWUSEYZCNIB-UHFFFAOYSA-N
XLogP2.02
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylpyridine
CID 3015241
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
CID 66669094
CID 66669094
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933
3-oxo-N-prop-2-enyl-2-(pyridin-2-ylmethyl)prop-2-enamide
CID 57265204
1-(prop-2-enylamino)-3-pyridin-2-ylpropan-2-one
CID 116589890
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
1-cyclohexyl-3-prop-2-enyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 75532671
N-prop-2-enyl-1-pyridin-2-ylprop-2-en-1-amine
CID 68906017
2-prop-2-enylpyridine;tributyl(fluoro)stannane
CID 174480224
1-ethyl-3-prop-2-enyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110979568
2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
CID 170312059

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine (CID 67443317) is 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine is C=CCNC(=CCc1ccccn1)NCC=C.
What is the InChIKey of 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine?
The InChIKey is PYCSWUSEYZCNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-10-16-14(17-11-4-2)9-8-13-7-5-6-12-15-13/h3-7,9,12,16-17H,1-2,8,10-11H2.
What are the key properties of 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine?
1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine has a molecular weight of 229.33 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(prop-2-enyl)-3-pyridin-2-ylprop-1-ene-1,1-diamine is sourced from PubChem (CID 67443317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).