ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine

C15H21N5 — CID 144945492

IUPACethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine
SMILESC=C.[H]/N=C/c1cc(N2CC(C(=C)N=C)C2)cnc1NC
InChIInChI=1S/C13H17N5.C2H4/c1-9(15-2)11-7-18(8-11)12-4-10(5-14)13(16-3)17-6-12;1-2/h4-6,11,14H,1-2,7-8H2,3H3,(H,16,17);1-2H2/b14-5+;
InChIKeyFFDRNMRENASYQQ-OCSIRBNJSA-N
MW271.37 g/mol
LogP2.57
Rot. Bonds5

About ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine

ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine (PubChem CID 144945492) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Nameethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine
PubChem CID144945492
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Nameethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine
SMILESC=C.[H]/N=C/c1cc(N2CC(C(=C)N=C)C2)cnc1NC
InChIInChI=1S/C13H17N5.C2H4/c1-9(15-2)11-7-18(8-11)12-4-10(5-14)13(16-3)17-6-12;1-2/h4-6,11,14H,1-2,7-8H2,3H3,(H,16,17);1-2H2/b14-5+;
InChIKeyFFDRNMRENASYQQ-OCSIRBNJSA-N
XLogP2.57
TPSA64.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine?
The IUPAC name of ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine (CID 144945492) is ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine.
What is the SMILES notation for ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine?
The canonical SMILES for ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine is C=C.[H]/N=C/c1cc(N2CC(C(=C)N=C)C2)cnc1NC.
What is the InChIKey of ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine?
The InChIKey is FFDRNMRENASYQQ-OCSIRBNJSA-N. The full InChI is InChI=1S/C13H17N5.C2H4/c1-9(15-2)11-7-18(8-11)12-4-10(5-14)13(16-3)17-6-12;1-2/h4-6,11,14H,1-2,7-8H2,3H3,(H,16,17);1-2H2/b14-5+;.
What are the key properties of ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine?
ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-methanimidoyl-N-methyl-5-[3-[1-(methylideneamino)ethenyl]azetidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 144945492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).