di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine

C13H30N2O2 — CID 14741619

IUPACdi(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(=O)O)C(C)C.CC(C)NC(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
LogP3.18
Rot. Bonds4

About di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine

di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine (PubChem CID 14741619) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Namedi(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine
PubChem CID14741619
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Namedi(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(=O)O)C(C)C.CC(C)NC(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
XLogP3.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine?
The IUPAC name of di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine (CID 14741619) is di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine?
The canonical SMILES for di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine is CC(C)N(C(=O)O)C(C)C.CC(C)NC(C)C.
What is the InChIKey of di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine?
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)carbamic acid;N-propan-2-ylpropan-2-amine?
di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine has a molecular weight of 246.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 14741619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).