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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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).