propan-2-amine;propane;propan-2-ol

C9H25NO — CID 161404449

IUPACpropan-2-amine;propane;propan-2-ol
SMILESCC(C)N.CC(C)O.CCC
InChIInChI=1S/C3H9N.C3H8O.C3H8/c2*1-3(2)4;1-3-2/h3H,4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3
InChIKeyVUQQEHZXVUKWMI-UHFFFAOYSA-N
MW163.30 g/mol
LogP2.16
Rot. Bonds

About propan-2-amine;propane;propan-2-ol

propan-2-amine;propane;propan-2-ol (PubChem CID 161404449) has the molecular formula C9H25NO and a molecular weight of 163.30 g/mol. Its IUPAC name is propan-2-amine;propane;propan-2-ol.

Molecular Properties

Compound Namepropan-2-amine;propane;propan-2-ol
PubChem CID161404449
Molecular FormulaC9H25NO
Molecular Weight163.30 g/mol
Exact Mass163.19
IUPAC Namepropan-2-amine;propane;propan-2-ol
SMILESCC(C)N.CC(C)O.CCC
InChIInChI=1S/C3H9N.C3H8O.C3H8/c2*1-3(2)4;1-3-2/h3H,4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3
InChIKeyVUQQEHZXVUKWMI-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze propan-2-amine;propane;propan-2-ol 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 propan-2-amine;propane;propan-2-ol?
The IUPAC name of propan-2-amine;propane;propan-2-ol (CID 161404449) is propan-2-amine;propane;propan-2-ol.
What is the SMILES notation for propan-2-amine;propane;propan-2-ol?
The canonical SMILES for propan-2-amine;propane;propan-2-ol is CC(C)N.CC(C)O.CCC.
What is the InChIKey of propan-2-amine;propane;propan-2-ol?
The InChIKey is VUQQEHZXVUKWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C3H8O.C3H8/c2*1-3(2)4;1-3-2/h3H,4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3.
What are the key properties of propan-2-amine;propane;propan-2-ol?
propan-2-amine;propane;propan-2-ol has a molecular weight of 163.30 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-amine;propane;propan-2-ol is sourced from PubChem (CID 161404449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).