N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide

C17H26N5+ — CID 123310194

IUPACN-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide
SMILES[H]/N=C/C=C(C)C(=CCCC)/N=N/C(=N\C)C1=CC=[N+](C)CC1
InChIInChI=1S/C17H26N5/c1-5-6-7-16(14(2)8-11-18)20-21-17(19-3)15-9-12-22(4)13-10-15/h7-9,11-12,18H,5-6,10,13H2,1-4H3/q+1/b14-8?,16-7?,18-11+,19-17-,21-20+
InChIKeyYUYKFHXMXRDFHG-ASVDAZPMSA-N
MW300.43 g/mol
LogP3.79
Rot. Bonds6

About N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide

N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide (PubChem CID 123310194) has the molecular formula C17H26N5+ and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide.

Molecular Properties

Compound NameN-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide
PubChem CID123310194
Molecular FormulaC17H26N5+
Molecular Weight300.43 g/mol
Exact Mass300.22
IUPAC NameN-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide
SMILES[H]/N=C/C=C(C)C(=CCCC)/N=N/C(=N\C)C1=CC=[N+](C)CC1
InChIInChI=1S/C17H26N5/c1-5-6-7-16(14(2)8-11-18)20-21-17(19-3)15-9-12-22(4)13-10-15/h7-9,11-12,18H,5-6,10,13H2,1-4H3/q+1/b14-8?,16-7?,18-11+,19-17-,21-20+
InChIKeyYUYKFHXMXRDFHG-ASVDAZPMSA-N
XLogP3.79
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide?
The IUPAC name of N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide (CID 123310194) is N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide.
What is the SMILES notation for N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide?
The canonical SMILES for N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide is [H]/N=C/C=C(C)C(=CCCC)/N=N/C(=N\C)C1=CC=[N+](C)CC1.
What is the InChIKey of N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide?
The InChIKey is YUYKFHXMXRDFHG-ASVDAZPMSA-N. The full InChI is InChI=1S/C17H26N5/c1-5-6-7-16(14(2)8-11-18)20-21-17(19-3)15-9-12-22(4)13-10-15/h7-9,11-12,18H,5-6,10,13H2,1-4H3/q+1/b14-8?,16-7?,18-11+,19-17-,21-20+.
What are the key properties of N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide?
N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide has a molecular weight of 300.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imino-3-methylocta-2,4-dien-4-yl)imino-N',1-dimethyl-2,3-dihydropyridin-1-ium-4-carboximidamide is sourced from PubChem (CID 123310194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).