propan-2-amine;propan-2-ylcarbamic acid

C7H18N2O2 — CID 12921252

IUPACpropan-2-amine;propan-2-ylcarbamic acid
SMILESCC(C)N.CC(C)NC(=O)O
InChIInChI=1S/C4H9NO2.C3H9N/c1-3(2)5-4(6)7;1-3(2)4/h3,5H,1-2H3,(H,6,7);3H,4H2,1-2H3
InChIKeyMPXHWRXXJUKENG-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.02
Rot. Bonds1

About propan-2-amine;propan-2-ylcarbamic acid

propan-2-amine;propan-2-ylcarbamic acid (PubChem CID 12921252) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is propan-2-amine;propan-2-ylcarbamic acid.

Molecular Properties

Compound Namepropan-2-amine;propan-2-ylcarbamic acid
PubChem CID12921252
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Namepropan-2-amine;propan-2-ylcarbamic acid
SMILESCC(C)N.CC(C)NC(=O)O
InChIInChI=1S/C4H9NO2.C3H9N/c1-3(2)5-4(6)7;1-3(2)4/h3,5H,1-2H3,(H,6,7);3H,4H2,1-2H3
InChIKeyMPXHWRXXJUKENG-UHFFFAOYSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-amine;propan-2-ylcarbamic acid?
The IUPAC name of propan-2-amine;propan-2-ylcarbamic acid (CID 12921252) is propan-2-amine;propan-2-ylcarbamic acid.
What is the SMILES notation for propan-2-amine;propan-2-ylcarbamic acid?
The canonical SMILES for propan-2-amine;propan-2-ylcarbamic acid is CC(C)N.CC(C)NC(=O)O.
What is the InChIKey of propan-2-amine;propan-2-ylcarbamic acid?
The InChIKey is MPXHWRXXJUKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H9N/c1-3(2)5-4(6)7;1-3(2)4/h3,5H,1-2H3,(H,6,7);3H,4H2,1-2H3.
What are the key properties of propan-2-amine;propan-2-ylcarbamic acid?
propan-2-amine;propan-2-ylcarbamic acid has a molecular weight of 162.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;propan-2-ylcarbamic acid is sourced from PubChem (CID 12921252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).