(2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten

C9H18N3W- — CID 59885946

IUPAC(2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten
SMILESCN[C@H]1C=[C-]CN(C)[C@@H]1N(C)C.[W]
InChIInChI=1S/C9H18N3.W/c1-10-8-6-5-7-12(4)9(8)11(2)3;/h6,8-10H,7H2,1-4H3;/q-1;/t8-,9-;/m0./s1
InChIKeyLBDHCGACALKKAK-OZZZDHQUSA-N
MW352.10 g/mol
LogP-0.24
Rot. Bonds2

About (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten

(2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten (PubChem CID 59885946) has the molecular formula C9H18N3W- and a molecular weight of 352.10 g/mol. Its IUPAC name is (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten.

Molecular Properties

Compound Name(2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten
PubChem CID59885946
Molecular FormulaC9H18N3W-
Molecular Weight352.10 g/mol
Exact Mass352.10
IUPAC Name(2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten
SMILESCN[C@H]1C=[C-]CN(C)[C@@H]1N(C)C.[W]
InChIInChI=1S/C9H18N3.W/c1-10-8-6-5-7-12(4)9(8)11(2)3;/h6,8-10H,7H2,1-4H3;/q-1;/t8-,9-;/m0./s1
InChIKeyLBDHCGACALKKAK-OZZZDHQUSA-N
XLogP-0.24
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.10
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine
CID 130921547
2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-1-amine
CID 131052441
(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine
CID 131185822
1-[(E)-pent-3-en-2-yl]imidazolidine
CID 22628663
(2R,3R)-2-N,2-N,3-N,3-N,1-pentamethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten
CID 59885952
1-Pent-3-en-2-ylimidazolidine
CID 70169411
1-[(Z)-pent-3-en-2-yl]imidazolidine
CID 70169993
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
CID 114410601
1-Methyl-1,2,3,5,6,8a-hexahydroimidazo[1,5-a]pyridine
CID 123856858
N-propan-2-yl-1,2,3,6-tetrahydropyridin-3-amine
CID 134579084
(E)-1-N,1-N-dimethyl-2-N-[1-(propan-2-ylamino)propyl]pent-2-ene-1,2-diamine
CID 137383122
1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine
CID 139506663

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten?
The IUPAC name of (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten (CID 59885946) is (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten.
What is the SMILES notation for (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten?
The canonical SMILES for (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten is CN[C@H]1C=[C-]CN(C)[C@@H]1N(C)C.[W].
What is the InChIKey of (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten?
The InChIKey is LBDHCGACALKKAK-OZZZDHQUSA-N. The full InChI is InChI=1S/C9H18N3.W/c1-10-8-6-5-7-12(4)9(8)11(2)3;/h6,8-10H,7H2,1-4H3;/q-1;/t8-,9-;/m0./s1.
What are the key properties of (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten?
(2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten has a molecular weight of 352.10 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-N,2-N,3-N,1-tetramethyl-2,3,5,6-tetrahydropyridin-5-ide-2,3-diamine;tungsten is sourced from PubChem (CID 59885946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).