[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride

C8H16Cl2N2OPt — CID 45273960

IUPAC[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride
SMILESNCC1C2CCC(O2)C1CN.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C8H16N2O.2ClH.Pt/c9-3-5-6(4-10)8-2-1-7(5)11-8;;;/h5-8H,1-4,9-10H2;2*1H;/q;;;+2/p-2
InChIKeyPZXZHJWTDIKZGS-UHFFFAOYSA-L
MW422.21 g/mol
LogP-6.30
Rot. Bonds2

About [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride

[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride (PubChem CID 45273960) has the molecular formula C8H16Cl2N2OPt and a molecular weight of 422.21 g/mol. Its IUPAC name is [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride.

Molecular Properties

Compound Name[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride
PubChem CID45273960
Molecular FormulaC8H16Cl2N2OPt
Molecular Weight422.21 g/mol
Exact Mass421.03
IUPAC Name[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride
SMILESNCC1C2CCC(O2)C1CN.[Cl-].[Cl-].[Pt+2]
InChIInChI=1S/C8H16N2O.2ClH.Pt/c9-3-5-6(4-10)8-2-1-7(5)11-8;;;/h5-8H,1-4,9-10H2;2*1H;/q;;;+2/p-2
InChIKeyPZXZHJWTDIKZGS-UHFFFAOYSA-L
XLogP-6.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.21
LogP ≤ 5-6.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-7-[(1S,2S,3S,4R)-3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 67875287
2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol
CID 117194095
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194090
[3-(3-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194136
tert-butyl N-[(2S,3S)-3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
CID 117274987
[2,3,4-tris(aminomethyl)cyclobutyl]methanamine
CID 141409932
[3-(3-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194142
[(1R,5R,6S)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 124555816
[(1R,5R,6R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 96848250
[(2R,5S)-5-cyclopropyloxolan-2-yl]methanamine
CID 155905472
[(1R,5R)-2-oxabicyclo[3.1.0]hexan-6-yl]methanamine
CID 59234196

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride?
The IUPAC name of [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride (CID 45273960) is [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride.
What is the SMILES notation for [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride?
The canonical SMILES for [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride is NCC1C2CCC(O2)C1CN.[Cl-].[Cl-].[Pt+2].
What is the InChIKey of [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride?
The InChIKey is PZXZHJWTDIKZGS-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H16N2O.2ClH.Pt/c9-3-5-6(4-10)8-2-1-7(5)11-8;;;/h5-8H,1-4,9-10H2;2*1H;/q;;;+2/p-2.
What are the key properties of [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride?
[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride has a molecular weight of 422.21 g/mol, XLogP of -6.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride is sourced from PubChem (CID 45273960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).