N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)

C42H100N8O4Pt2-2 — CID 24969473

IUPACN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt]
InChIInChI=1S/C14H34N4.2C14H28O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;/h17-18H,1-16H2;2*2-13H2,1H3,(H,15,16);4*1H3;;/p-2
InChIKeyBBMUBQRIBLQHEY-UHFFFAOYSA-L
MW1171.47 g/mol
LogP8.72
Rot. Bonds39

About N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)

N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate) (PubChem CID 24969473) has the molecular formula C42H100N8O4Pt2-2 and a molecular weight of 1171.47 g/mol. Its IUPAC name is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate).

Molecular Properties

Compound NameN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)
PubChem CID24969473
Molecular FormulaC42H100N8O4Pt2-2
Molecular Weight1171.47 g/mol
Exact Mass1170.72
IUPAC NameN'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)
SMILESCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt]
InChIInChI=1S/C14H34N4.2C14H28O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;/h17-18H,1-16H2;2*2-13H2,1H3,(H,15,16);4*1H3;;/p-2
InChIKeyBBMUBQRIBLQHEY-UHFFFAOYSA-L
XLogP8.72
TPSA296.36 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds39
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001171.47
LogP ≤ 58.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;butanoate;platinum
CID 24969654
octan-1-amine;octanoate
CID 23330056
disodium;N'-pentylethane-1,2-diamine;propanoate
CID 174680589
copper;ethane-1,2-diamine;bis(octanoate)
CID 158301561
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
tetrakis(decanoate);osmium(4+)
CID 162078983
N'-tetradecylbutane-1,4-diamine;hydrochloride
CID 73211859
sodium;azane;dodecanoate
CID 23690680
CID 23623890
CID 23623890

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)?
The IUPAC name of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate) (CID 24969473) is N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate).
What is the SMILES notation for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)?
The canonical SMILES for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate) is CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].N.N.N.N.NCCCCCCNCCNCCCCCCN.[Pt].[Pt].
What is the InChIKey of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)?
The InChIKey is BBMUBQRIBLQHEY-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H34N4.2C14H28O2.4H3N.2Pt/c15-9-5-1-3-7-11-17-13-14-18-12-8-4-2-6-10-16;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;/h17-18H,1-16H2;2*2-13H2,1H3,(H,15,16);4*1H3;;/p-2.
What are the key properties of N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate)?
N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate) has a molecular weight of 1171.47 g/mol, XLogP of 8.72, 39 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6-aminohexylamino)ethyl]hexane-1,6-diamine;azane;platinum;bis(tetradecanoate) is sourced from PubChem (CID 24969473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).