ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide

C14H24N4 — CID 171564528

IUPACethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide
SMILESC=C.CC.CC(C)=N/N=C(\N)c1ccc(C)cn1
InChIInChI=1S/C10H14N4.C2H6.C2H4/c1-7(2)13-14-10(11)9-5-4-8(3)6-12-9;2*1-2/h4-6H,1-3H3,(H2,11,14);1-2H3;1-2H2
InChIKeyNEBBUQSNLGZXCQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.32
Rot. Bonds2

About ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide

ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide (PubChem CID 171564528) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide.

Molecular Properties

Compound Nameethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide
PubChem CID171564528
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Nameethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide
SMILESC=C.CC.CC(C)=N/N=C(\N)c1ccc(C)cn1
InChIInChI=1S/C10H14N4.C2H6.C2H4/c1-7(2)13-14-10(11)9-5-4-8(3)6-12-9;2*1-2/h4-6H,1-3H3,(H2,11,14);1-2H3;1-2H2
InChIKeyNEBBUQSNLGZXCQ-UHFFFAOYSA-N
XLogP3.32
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-5-methylpyridine-2-carboximidamide
CID 81312548
N-methyl-1-(5-methyl-2-pyridinyl)ethanimine
CID 123351090
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026
2-(3-ethoxybuta-1,3-dien-2-yl)-5-methylpyridine
CID 166966032
sodium 5-methylpyridine-2-carboxylate
CID 23707755
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine
CID 142353727
ethane;2-[1-(1-fluorocyclopropyl)ethenyl]-5-methylpyridine
CID 144956619
ethane;(Z)-2-hydrazinyl-2-(5-methyl-2-pyridinyl)ethenamine
CID 171527313
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 177235271
N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine
CID 144518543
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide?
The IUPAC name of ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide (CID 171564528) is ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide.
What is the SMILES notation for ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide?
The canonical SMILES for ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide is C=C.CC.CC(C)=N/N=C(\N)c1ccc(C)cn1.
What is the InChIKey of ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide?
The InChIKey is NEBBUQSNLGZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C2H6.C2H4/c1-7(2)13-14-10(11)9-5-4-8(3)6-12-9;2*1-2/h4-6H,1-3H3,(H2,11,14);1-2H3;1-2H2.
What are the key properties of ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide?
ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide has a molecular weight of 248.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;5-methyl-N'-(propan-2-ylideneamino)pyridine-2-carboximidamide is sourced from PubChem (CID 171564528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).