di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate

C13H30N2O2 — CID 121004008

IUPACdi(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)[O-])C(C)C.CC(C)[NH2+]C(C)C
InChIInChI=1S/C7H15NO2.C6H15N/c1-5(2)8(6(3)4)7(9)10;1-5(2)7-6(3)4/h5-6H,1-4H3,(H,9,10);5-7H,1-4H3
InChIKeyKVUZHKQTVNFWCG-UHFFFAOYSA-N
MW246.39 g/mol
LogP0.82
Rot. Bonds4

About di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate

di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate (PubChem CID 121004008) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Namedi(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate
PubChem CID121004008
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Namedi(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)[O-])C(C)C.CC(C)[NH2+]C(C)C
InChIInChI=1S/C7H15NO2.C6H15N/c1-5(2)8(6(3)4)7(9)10;1-5(2)7-6(3)4/h5-6H,1-4H3,(H,9,10);5-7H,1-4H3
InChIKeyKVUZHKQTVNFWCG-UHFFFAOYSA-N
XLogP0.82
TPSA59.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate?
The IUPAC name of di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate (CID 121004008) is di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate?
The canonical SMILES for di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)[O-])C(C)C.CC(C)[NH2+]C(C)C.
What is the InChIKey of di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate?
The InChIKey is KVUZHKQTVNFWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H15N/c1-5(2)8(6(3)4)7(9)10;1-5(2)7-6(3)4/h5-6H,1-4H3,(H,9,10);5-7H,1-4H3.
What are the key properties of di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate?
di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate has a molecular weight of 246.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)azanium;N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 121004008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).