(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium

C15H23N4+ — CID 123392654

IUPAC(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium
SMILESC=[N+](C1=CN(C)CC=C1)/C(=N/C)NC(C=CC)=CC
InChIInChI=1S/C15H23N4/c1-6-9-13(7-2)17-15(16-3)19(5)14-10-8-11-18(4)12-14/h6-10,12H,5,11H2,1-4H3,(H,16,17)/q+1
InChIKeyHPWSMYVICYEEGT-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.10
Rot. Bonds3

About (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium

(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium (PubChem CID 123392654) has the molecular formula C15H23N4+ and a molecular weight of 259.38 g/mol. Its IUPAC name is (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium.

Molecular Properties

Compound Name(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium
PubChem CID123392654
Molecular FormulaC15H23N4+
Molecular Weight259.38 g/mol
Exact Mass259.19
IUPAC Name(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium
SMILESC=[N+](C1=CN(C)CC=C1)/C(=N/C)NC(C=CC)=CC
InChIInChI=1S/C15H23N4/c1-6-9-13(7-2)17-15(16-3)19(5)14-10-8-11-18(4)12-14/h6-10,12H,5,11H2,1-4H3,(H,16,17)/q+1
InChIKeyHPWSMYVICYEEGT-UHFFFAOYSA-N
XLogP2.10
TPSA30.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-cyano-2-methyl-3-(2H-pyridin-1-ylmethyl)guanidine
CID 23171098
N,N-dimethyl-N'-(1H-pyridin-2-ylidenemethyl)aziridine-1-carboximidamide
CID 121284502
1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine
CID 121284507
(Z)-1-N'-methyl-2-(methylideneamino)-1-N'-[[[(3Z)-penta-1,3-dien-2-yl]amino]methyl]ethene-1,1-diamine
CID 137430111
1-Cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine
CID 142011371
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-methyl-4H-pyrimidin-4-amine
CID 143449242
6-Methylidene-1-(methyliminomethyl)pyrimidin-2-amine
CID 143480405
1-ethenyl-3-(4-methyl-6-methylidene-1H-pyrimidin-2-yl)-1-[(Z)-prop-1-enyl]urea
CID 146387506
1-[(3E,5E)-6-(1-aminoethenylamino)hexa-1,3,5-trien-3-yl]-2-ethylguanidine
CID 146590018
1-(2-Aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine
CID 146868799
N-[(3E)-4-[butan-2-yl(methylaminomethyl)amino]buta-1,3-dien-2-yl]-N'-ethylmethanimidamide
CID 155371480
2-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-N,3-dimethyl-4-[(Z)-3-(methylamino)prop-2-enyl]-4H-pyrimidine-2,6-diamine
CID 155371879

Frequently Asked Questions

What is the IUPAC name of (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium?
The IUPAC name of (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium (CID 123392654) is (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium.
What is the SMILES notation for (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium?
The canonical SMILES for (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium is C=[N+](C1=CN(C)CC=C1)/C(=N/C)NC(C=CC)=CC.
What is the InChIKey of (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium?
The InChIKey is HPWSMYVICYEEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N4/c1-6-9-13(7-2)17-15(16-3)19(5)14-10-8-11-18(4)12-14/h6-10,12H,5,11H2,1-4H3,(H,16,17)/q+1.
What are the key properties of (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium?
(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium has a molecular weight of 259.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium is sourced from PubChem (CID 123392654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).