(2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine

C9H13N3 — CID 166139731

IUPAC(2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine
SMILES[H]/N=c1\cc(CN)ccn1C(=C)C
InChIInChI=1S/C9H13N3/c1-7(2)12-4-3-8(6-10)5-9(12)11/h3-5,11H,1,6,10H2,2H3/b11-9+
InChIKeySTQAZMACFSDMAX-PKNBQFBNSA-N
MW163.22 g/mol
LogP0.92
Rot. Bonds2

About (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine

(2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine (PubChem CID 166139731) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine
PubChem CID166139731
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine
SMILES[H]/N=c1\cc(CN)ccn1C(=C)C
InChIInChI=1S/C9H13N3/c1-7(2)12-4-3-8(6-10)5-9(12)11/h3-5,11H,1,6,10H2,2H3/b11-9+
InChIKeySTQAZMACFSDMAX-PKNBQFBNSA-N
XLogP0.92
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2e)-1,4-Dimethylpyridin-2(1h)-imine
CID 288604
1,4-Dimethylpyridin-2-imine;hydroiodide
CID 90654291
Iminoquinolizine
CID 129799109
1-Ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine
CID 130374219
1-(3-Fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
CID 154965437
1-Ethanimidoyl-5-fluoro-4-methylpyridin-2-imine
CID 172299308
1-Tert-butylpyridin-2-imine
CID 58097190
1-Propan-2-ylpyridin-2-imine
CID 68347865
1-But-1-en-2-ylpyridin-2-imine
CID 123544074
5-Chloro-1-prop-1-en-2-ylpyridin-2-imine
CID 123627508
1-(1-ethanimidoyl-6-imino-3-pyridinyl)-N-methylmethanamine
CID 123651779
5-[Ethyl(methyl)amino]-2-iminopyridine-1-carboximidoyl chloride
CID 123670445

Frequently Asked Questions

What is the IUPAC name of (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine?
The IUPAC name of (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine (CID 166139731) is (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine.
What is the SMILES notation for (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine?
The canonical SMILES for (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine is [H]/N=c1\cc(CN)ccn1C(=C)C.
What is the InChIKey of (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine?
The InChIKey is STQAZMACFSDMAX-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)12-4-3-8(6-10)5-9(12)11/h3-5,11H,1,6,10H2,2H3/b11-9+.
What are the key properties of (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine?
(2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine has a molecular weight of 163.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine is sourced from PubChem (CID 166139731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).