tris(di(propan-2-yl)carbamic acid);titanium

C21H45N3O6Ti — CID 11812839

IUPACtris(di(propan-2-yl)carbamic acid);titanium
SMILESCC(C)N(C(=O)O)C(C)C.CC(C)N(C(=O)O)C(C)C.CC(C)N(C(=O)O)C(C)C.[Ti]
InChIInChI=1S/3C7H15NO2.Ti/c3*1-5(2)8(6(3)4)7(9)10;/h3*5-6H,1-4H3,(H,9,10);
InChIKeyDPRMRIBSJZBPBW-UHFFFAOYSA-N
MW483.47 g/mol
LogP5.35
Rot. Bonds6

About tris(di(propan-2-yl)carbamic acid);titanium

tris(di(propan-2-yl)carbamic acid);titanium (PubChem CID 11812839) has the molecular formula C21H45N3O6Ti and a molecular weight of 483.47 g/mol. Its IUPAC name is tris(di(propan-2-yl)carbamic acid);titanium.

Molecular Properties

Compound Nametris(di(propan-2-yl)carbamic acid);titanium
PubChem CID11812839
Molecular FormulaC21H45N3O6Ti
Molecular Weight483.47 g/mol
Exact Mass483.28
IUPAC Nametris(di(propan-2-yl)carbamic acid);titanium
SMILESCC(C)N(C(=O)O)C(C)C.CC(C)N(C(=O)O)C(C)C.CC(C)N(C(=O)O)C(C)C.[Ti]
InChIInChI=1S/3C7H15NO2.Ti/c3*1-5(2)8(6(3)4)7(9)10;/h3*5-6H,1-4H3,(H,9,10);
InChIKeyDPRMRIBSJZBPBW-UHFFFAOYSA-N
XLogP5.35
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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benzene;methyl(propan-2-yl)carbamic acid
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3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 60988088
2,2,3,3-tetrafluoro-N,N,N',N'-tetra(propan-2-yl)butanediamide
CID 3470893
S-(1,2-dichloroprop-1-enyl) N,N-di(propan-2-yl)carbamothioate
CID 56627222
2-[methoxycarbonyl(propan-2-yl)amino]propanoic acid
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CID 173417954

Frequently Asked Questions

What is the IUPAC name of tris(di(propan-2-yl)carbamic acid);titanium?
The IUPAC name of tris(di(propan-2-yl)carbamic acid);titanium (CID 11812839) is tris(di(propan-2-yl)carbamic acid);titanium.
What is the SMILES notation for tris(di(propan-2-yl)carbamic acid);titanium?
The canonical SMILES for tris(di(propan-2-yl)carbamic acid);titanium is CC(C)N(C(=O)O)C(C)C.CC(C)N(C(=O)O)C(C)C.CC(C)N(C(=O)O)C(C)C.[Ti].
What is the InChIKey of tris(di(propan-2-yl)carbamic acid);titanium?
The InChIKey is DPRMRIBSJZBPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15NO2.Ti/c3*1-5(2)8(6(3)4)7(9)10;/h3*5-6H,1-4H3,(H,9,10);.
What are the key properties of tris(di(propan-2-yl)carbamic acid);titanium?
tris(di(propan-2-yl)carbamic acid);titanium has a molecular weight of 483.47 g/mol, XLogP of 5.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(di(propan-2-yl)carbamic acid);titanium is sourced from PubChem (CID 11812839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).