N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

C12H18N2 — CID 67865768

IUPACN-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CC=CC=N1
InChIInChI=1S/C12H18N2/c1-3-9-14(10-4-2)11-12-7-5-6-8-13-12/h3-6,8,12H,1-2,7,9-11H2
InChIKeyRZKOGDQEYVURSM-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.06
Rot. Bonds6

About N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine

N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 67865768) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID67865768
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1CC=CC=N1
InChIInChI=1S/C12H18N2/c1-3-9-14(10-4-2)11-12-7-5-6-8-13-12/h3-6,8,12H,1-2,7,9-11H2
InChIKeyRZKOGDQEYVURSM-UHFFFAOYSA-N
XLogP2.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pyrrolidin-1-yl-2,3-dihydropyridine
CID 22928866
3-Piperidin-1-yl-2,3-dihydropyridine
CID 23356626
1,6,7,9a-Tetrahydroquinolizin-5-ium
CID 57011898
1-Methyl-1,4,6,8a-tetrahydropyrrolo[1,2-a]pyrazine
CID 57323444
N-(2,3-dihydropyridin-2-ylmethyl)-N-methylbutan-2-amine
CID 66612937
(2S)-N,N,2-trimethyl-2,3-dihydropyridin-3-amine
CID 67991661
1-(2,3-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)-N-methylmethanamine
CID 70912867
(2,6-Dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
CID 123346098
(4Z)-1,9,12-triazabicyclo[7.6.2]heptadeca-4,11-diene
CID 142131865
N,N-dimethyl-1-(6-methyl-2,3-dihydropyridin-2-yl)methanamine
CID 142142768
1,4-Dimethyl-7,7a-dihydropyrrolo[3,2-b]pyridin-1-ium;ethane
CID 144465460
2-methyl-N-(methylideneamino)-N-pentyl-2,3-dihydropyridin-3-amine
CID 144800593

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine (CID 67865768) is N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1CC=CC=N1.
What is the InChIKey of N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is RZKOGDQEYVURSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-9-14(10-4-2)11-12-7-5-6-8-13-12/h3-6,8,12H,1-2,7,9-11H2.
What are the key properties of N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine?
N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-2-ylmethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 67865768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).