N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide

C10H15N4+ — CID 91608428

IUPACN-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide
SMILESCC1=C(N=CNC#N)[N+](C)(C)CC=C1
InChIInChI=1S/C10H15N4/c1-9-5-4-6-14(2,3)10(9)13-8-12-7-11/h4-5,8H,6H2,1-3H3,(H,12,13)/q+1
InChIKeyIWDAGTHBLOKKPD-UHFFFAOYSA-N
MW191.26 g/mol
LogP0.96
Rot. Bonds2

About N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide

N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide (PubChem CID 91608428) has the molecular formula C10H15N4+ and a molecular weight of 191.26 g/mol. Its IUPAC name is N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide.

Molecular Properties

Compound NameN-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide
PubChem CID91608428
Molecular FormulaC10H15N4+
Molecular Weight191.26 g/mol
Exact Mass191.13
IUPAC NameN-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide
SMILESCC1=C(N=CNC#N)[N+](C)(C)CC=C1
InChIInChI=1S/C10H15N4/c1-9-5-4-6-14(2,3)10(9)13-8-12-7-11/h4-5,8H,6H2,1-3H3,(H,12,13)/q+1
InChIKeyIWDAGTHBLOKKPD-UHFFFAOYSA-N
XLogP0.96
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-cyano-N'-(1,1-dimethyl-2H-pyridin-1-ium-6-yl)methanimidamide
CID 91490293
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 143503835
N-[5-[(Z)-prop-1-enyl]-1,2-dihydropyridin-6-yl]methanimine
CID 155150103
1-(Cyclopenta-1,4-dien-1-ylmethyl)-3-(diaminomethylidene)-2-methylguanidine
CID 158386966
6-(cyclopenta-1,4-dien-1-ylmethylimino)-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 159034110
6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 159034114

Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide?
The IUPAC name of N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide (CID 91608428) is N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide.
What is the SMILES notation for N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide?
The canonical SMILES for N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide is CC1=C(N=CNC#N)[N+](C)(C)CC=C1.
What is the InChIKey of N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide?
The InChIKey is IWDAGTHBLOKKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N4/c1-9-5-4-6-14(2,3)10(9)13-8-12-7-11/h4-5,8H,6H2,1-3H3,(H,12,13)/q+1.
What are the key properties of N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide?
N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide has a molecular weight of 191.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-(1,1,5-trimethyl-2H-pyridin-1-ium-6-yl)methanimidamide is sourced from PubChem (CID 91608428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).