4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium

C20H35N5Rh — CID 140723720

IUPAC4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium
SMILESC/C(=N\CCCCN(C)C)c1cccc(/C(C)=N/CCCN(C)C)n1.[Rh]
InChIInChI=1S/C20H35N5.Rh/c1-17(21-13-7-8-15-24(3)4)19-11-9-12-20(23-19)18(2)22-14-10-16-25(5)6;/h9,11-12H,7-8,10,13-16H2,1-6H3;/b21-17+,22-18+;
InChIKeyLEUTXBOUQCPFDU-FCJWRILLSA-N
MW448.44 g/mol
LogP2.99
Rot. Bonds11

About 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium

4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium (PubChem CID 140723720) has the molecular formula C20H35N5Rh and a molecular weight of 448.44 g/mol. Its IUPAC name is 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium.

Molecular Properties

Compound Name4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium
PubChem CID140723720
Molecular FormulaC20H35N5Rh
Molecular Weight448.44 g/mol
Exact Mass448.19
IUPAC Name4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium
SMILESC/C(=N\CCCCN(C)C)c1cccc(/C(C)=N/CCCN(C)C)n1.[Rh]
InChIInChI=1S/C20H35N5.Rh/c1-17(21-13-7-8-15-24(3)4)19-11-9-12-20(23-19)18(2)22-14-10-16-25(5)6;/h9,11-12H,7-8,10,13-16H2,1-6H3;/b21-17+,22-18+;
InChIKeyLEUTXBOUQCPFDU-FCJWRILLSA-N
XLogP2.99
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
CID 15522728
cobalt;3-[1-[6-[N-(3-diphenylphosphaniumylpropyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]propyl-diphenylphosphanium;propane;hydrochloride
CID 158410528
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
N-[2-[1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]ethyl]-N-propan-2-ylpropan-2-amine
CID 102049036
dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
CID 139081439
N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
CID 147119657
N-butyl-1-pyridin-2-ylethanimine
CID 583773
1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine
CID 76843609
1-[6-[N-[2-(diphenylphosphanylmethyl)pentyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(3-diphenylphosphanylpropyl)ethanimine
CID 130233405
4-[1-[6-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylaniline
CID 90737220
2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium?
The IUPAC name of 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium (CID 140723720) is 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium.
What is the SMILES notation for 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium?
The canonical SMILES for 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium is C/C(=N\CCCCN(C)C)c1cccc(/C(C)=N/CCCN(C)C)n1.[Rh].
What is the InChIKey of 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium?
The InChIKey is LEUTXBOUQCPFDU-FCJWRILLSA-N. The full InChI is InChI=1S/C20H35N5.Rh/c1-17(21-13-7-8-15-24(3)4)19-11-9-12-20(23-19)18(2)22-14-10-16-25(5)6;/h9,11-12H,7-8,10,13-16H2,1-6H3;/b21-17+,22-18+;.
What are the key properties of 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium?
4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium has a molecular weight of 448.44 g/mol, XLogP of 2.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N,N-dimethylbutan-1-amine;rhodium is sourced from PubChem (CID 140723720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).