azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)

C23H44N4O4Pt — CID 90646397

IUPACazane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)
SMILESCC(C)(C)CC(C)(C)NC(=O)[O-].CC(C)(C)CC(C)(C)NC(=O)[O-].N.[Pt+2].c1ccncc1
InChIInChI=1S/2C9H19NO2.C5H5N.H3N.Pt/c2*1-8(2,3)6-9(4,5)10-7(11)12;1-2-4-6-5-3-1;;/h2*10H,6H2,1-5H3,(H,11,12);1-5H;1H3;/q;;;;+2/p-2
InChIKeyQBDRNUVBWQRKSE-UHFFFAOYSA-L
MW635.71 g/mol
LogP3.51
Rot. Bonds4

About azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)

azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate) (PubChem CID 90646397) has the molecular formula C23H44N4O4Pt and a molecular weight of 635.71 g/mol. Its IUPAC name is azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate).

Molecular Properties

Compound Nameazane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)
PubChem CID90646397
Molecular FormulaC23H44N4O4Pt
Molecular Weight635.71 g/mol
Exact Mass635.30
IUPAC Nameazane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)
SMILESCC(C)(C)CC(C)(C)NC(=O)[O-].CC(C)(C)CC(C)(C)NC(=O)[O-].N.[Pt+2].c1ccncc1
InChIInChI=1S/2C9H19NO2.C5H5N.H3N.Pt/c2*1-8(2,3)6-9(4,5)10-7(11)12;1-2-4-6-5-3-1;;/h2*10H,6H2,1-5H3,(H,11,12);1-5H;1H3;/q;;;;+2/p-2
InChIKeyQBDRNUVBWQRKSE-UHFFFAOYSA-L
XLogP3.51
TPSA152.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500635.71
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-Butyl (pyridin-3-ylmethyl)carbamate
CID 13948280
3-Pyridinecarbamic acid, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester), monohydrochloride
CID 212919
2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 4722845
tert-butyl N-[(3E)-4-(6-fluoro-3-pyridinyl)-6-methylhepta-1,3,5-trien-2-yl]carbamate
CID 145387473
Methyl [2-(pyridin-4-yl)ethyl]carbamate
CID 5305116
[2-(carbamoyloxymethyl)-2-methylpentyl] N-pyridin-3-ylcarbamate
CID 212920
2-methylpropyl N-(2-pyridin-4-ylpropan-2-yl)carbamate
CID 4138558
[(E)-pyridin-3-ylmethylideneamino] N-cyclohexylcarbamate
CID 9555429
3-(2-Bocaminoethyl)pyridine
CID 1512531
methyl N-(pyridin-3-ylmethyl)carbamate
CID 5139381
tert-butyl N-[(Z)-5-pyridin-3-ylpent-4-en-2-yl]carbamate
CID 15097558
2-[2-(butylcarbamoyloxy)ethyl-(pyridin-3-ylmethyl)amino]ethyl N-butylcarbamate
CID 15734717

Frequently Asked Questions

What is the IUPAC name of azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)?
The IUPAC name of azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate) (CID 90646397) is azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate).
What is the SMILES notation for azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)?
The canonical SMILES for azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate) is CC(C)(C)CC(C)(C)NC(=O)[O-].CC(C)(C)CC(C)(C)NC(=O)[O-].N.[Pt+2].c1ccncc1.
What is the InChIKey of azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)?
The InChIKey is QBDRNUVBWQRKSE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H19NO2.C5H5N.H3N.Pt/c2*1-8(2,3)6-9(4,5)10-7(11)12;1-2-4-6-5-3-1;;/h2*10H,6H2,1-5H3,(H,11,12);1-5H;1H3;/q;;;;+2/p-2.
What are the key properties of azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate)?
azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate) has a molecular weight of 635.71 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;platinum(2+);pyridine;bis(N-(2,4,4-trimethylpentan-2-yl)carbamate) is sourced from PubChem (CID 90646397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).