(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine

C12H16N4 — CID 178171862

IUPAC(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cnc2c(c1)CNCC2
InChIInChI=1S/C12H16N4/c1-14-6-11(5-13)9-4-10-7-15-3-2-12(10)16-8-9/h4-6,8,15H,2-3,7,13H2,1H3/b11-5+,14-6+
InChIKeyUXHUNZASJHMNQA-DYWAFWCTSA-N
MW216.29 g/mol
LogP0.73
Rot. Bonds2

About (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine

(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine (PubChem CID 178171862) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine
PubChem CID178171862
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine
SMILESC/N=C/C(=C\N)c1cnc2c(c1)CNCC2
InChIInChI=1S/C12H16N4/c1-14-6-11(5-13)9-4-10-7-15-3-2-12(10)16-8-9/h4-6,8,15H,2-3,7,13H2,1H3/b11-5+,14-6+
InChIKeyUXHUNZASJHMNQA-DYWAFWCTSA-N
XLogP0.73
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine (CID 178171862) is (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine is C/N=C/C(=C\N)c1cnc2c(c1)CNCC2.
What is the InChIKey of (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine?
The InChIKey is UXHUNZASJHMNQA-DYWAFWCTSA-N. The full InChI is InChI=1S/C12H16N4/c1-14-6-11(5-13)9-4-10-7-15-3-2-12(10)16-8-9/h4-6,8,15H,2-3,7,13H2,1H3/b11-5+,14-6+.
What are the key properties of (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine?
(Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine has a molecular weight of 216.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylimino-2-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 178171862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).