[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)

C9H20N2O2Pt+2 — CID 161254924

IUPAC[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)
SMILESCC(C)(C)C1O[C@H](CN)[C@@H](CN)O1.[Pt+2]
InChIInChI=1S/C9H20N2O2.Pt/c1-9(2,3)8-12-6(4-10)7(5-11)13-8;/h6-8H,4-5,10-11H2,1-3H3;/q;+2/t6-,7-;/m1./s1
InChIKeyVBTYSHBDFXBBME-ZJLYAJKPSA-N
MW383.35 g/mol
LogP0.06
Rot. Bonds2

About [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)

[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+) (PubChem CID 161254924) has the molecular formula C9H20N2O2Pt+2 and a molecular weight of 383.35 g/mol. Its IUPAC name is [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+).

Molecular Properties

Compound Name[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)
PubChem CID161254924
Molecular FormulaC9H20N2O2Pt+2
Molecular Weight383.35 g/mol
Exact Mass383.12
IUPAC Name[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)
SMILESCC(C)(C)C1O[C@H](CN)[C@@H](CN)O1.[Pt+2]
InChIInChI=1S/C9H20N2O2.Pt/c1-9(2,3)8-12-6(4-10)7(5-11)13-8;/h6-8H,4-5,10-11H2,1-3H3;/q;+2/t6-,7-;/m1./s1
InChIKeyVBTYSHBDFXBBME-ZJLYAJKPSA-N
XLogP0.06
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum
CID 162202129
(2S,3R,4R,5S,6R)-6-(aminomethyl)-2-tert-butyl-5-fluoro-4-methyloxan-3-ol
CID 59065158
[(4R,5R)-5-(aminomethyl)-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanamine
CID 22852073
[(1S,2S,4S,5R)-4-(aminomethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanamine
CID 55291443
[(4R,5R)-5-(aminomethyl)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)
CID 159019072
[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2829039
[(2R,3S,4R,5R)-3,4,5-tris(trimethylsilyloxy)oxolan-2-yl]methanamine
CID 141476916
2-(1-aminoethyl)-6-(aminomethyl)oxane-3,4,5-triol
CID 143647712
(2R,3R,5S)-2-[(2S,6S)-5-amino-2-(aminomethyl)-6-[(2R,3R,5S)-5-tert-butyl-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4-hydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 164812146
(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
CID 131134310
[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
CID 163867395
[(4R,5R)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
CID 10441741

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)?
The IUPAC name of [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+) (CID 161254924) is [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+).
What is the SMILES notation for [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)?
The canonical SMILES for [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+) is CC(C)(C)C1O[C@H](CN)[C@@H](CN)O1.[Pt+2].
What is the InChIKey of [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)?
The InChIKey is VBTYSHBDFXBBME-ZJLYAJKPSA-N. The full InChI is InChI=1S/C9H20N2O2.Pt/c1-9(2,3)8-12-6(4-10)7(5-11)13-8;/h6-8H,4-5,10-11H2,1-3H3;/q;+2/t6-,7-;/m1./s1.
What are the key properties of [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+)?
[(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+) has a molecular weight of 383.35 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(aminomethyl)-2-tert-butyl-1,3-dioxolan-4-yl]methanamine;platinum(2+) is sourced from PubChem (CID 161254924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).