3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine

C9H14N3P — CID 155747588

IUPAC3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine
SMILESC=C(N)Cn1c(C)ccc/c1=N\P
InChIInChI=1S/C9H14N3P/c1-7(10)6-12-8(2)4-3-5-9(12)11-13/h3-5H,1,6,10,13H2,2H3/b11-9+
InChIKeyIGAFSJNJCXXDIJ-PKNBQFBNSA-N
MW195.21 g/mol
LogP0.96
Rot. Bonds2

About 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine

3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine (PubChem CID 155747588) has the molecular formula C9H14N3P and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine
PubChem CID155747588
Molecular FormulaC9H14N3P
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine
SMILESC=C(N)Cn1c(C)ccc/c1=N\P
InChIInChI=1S/C9H14N3P/c1-7(10)6-12-8(2)4-3-5-9(12)11-13/h3-5H,1,6,10,13H2,2H3/b11-9+
InChIKeyIGAFSJNJCXXDIJ-PKNBQFBNSA-N
XLogP0.96
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine?
The IUPAC name of 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine (CID 155747588) is 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine.
What is the SMILES notation for 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine?
The canonical SMILES for 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine is C=C(N)Cn1c(C)ccc/c1=N\P.
What is the InChIKey of 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine?
The InChIKey is IGAFSJNJCXXDIJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H14N3P/c1-7(10)6-12-8(2)4-3-5-9(12)11-13/h3-5H,1,6,10,13H2,2H3/b11-9+.
What are the key properties of 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine?
3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine has a molecular weight of 195.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6E)-2-methyl-6-phosphanylimino-1-pyridinyl]prop-1-en-2-amine is sourced from PubChem (CID 155747588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).