N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine

C13H21N5 — CID 15522728

IUPACN-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1cccc(/C(C)=N/N(C)C)n1
InChIInChI=1S/C13H21N5/c1-10(15-17(3)4)12-8-7-9-13(14-12)11(2)16-18(5)6/h7-9H,1-6H3/b15-10+,16-11+
InChIKeyPBISVHGIXVUZJF-RWPWKDLBSA-N
MW247.35 g/mol
LogP1.65
Rot. Bonds4

About N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine

N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine (PubChem CID 15522728) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
PubChem CID15522728
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1cccc(/C(C)=N/N(C)C)n1
InChIInChI=1S/C13H21N5/c1-10(15-17(3)4)12-8-7-9-13(14-12)11(2)16-18(5)6/h7-9H,1-6H3/b15-10+,16-11+
InChIKeyPBISVHGIXVUZJF-RWPWKDLBSA-N
XLogP1.65
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220
N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 147119657
1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine
CID 76843609
(E)-1-(6-methyl-2-pyridinyl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethanimine
CID 50989515
iron;bis(1-[6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine)
CID 139126659
N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]-N-methylmethanamine
CID 59962068
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 143596814
4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium
CID 140723720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine (CID 15522728) is N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine is C/C(=N\N(C)C)c1cccc(/C(C)=N/N(C)C)n1.
What is the InChIKey of N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine?
The InChIKey is PBISVHGIXVUZJF-RWPWKDLBSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(15-17(3)4)12-8-7-9-13(14-12)11(2)16-18(5)6/h7-9H,1-6H3/b15-10+,16-11+.
What are the key properties of N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine?
N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 15522728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).