acetic acid;azane;N,N-dimethylpropan-1-amine

C7H20N2O2 — CID 89442730

IUPACacetic acid;azane;N,N-dimethylpropan-1-amine
SMILESCC(=O)O.CCCN(C)C.N
InChIInChI=1S/C5H13N.C2H4O2.H3N/c1-4-5-6(2)3;1-2(3)4;/h4-5H2,1-3H3;1H3,(H,3,4);1H3
InChIKeyPFIMKQRRXWAPKA-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.21
Rot. Bonds2

About acetic acid;azane;N,N-dimethylpropan-1-amine

acetic acid;azane;N,N-dimethylpropan-1-amine (PubChem CID 89442730) has the molecular formula C7H20N2O2 and a molecular weight of 164.25 g/mol. Its IUPAC name is acetic acid;azane;N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Nameacetic acid;azane;N,N-dimethylpropan-1-amine
PubChem CID89442730
Molecular FormulaC7H20N2O2
Molecular Weight164.25 g/mol
Exact Mass164.15
IUPAC Nameacetic acid;azane;N,N-dimethylpropan-1-amine
SMILESCC(=O)O.CCCN(C)C.N
InChIInChI=1S/C5H13N.C2H4O2.H3N/c1-4-5-6(2)3;1-2(3)4;/h4-5H2,1-3H3;1H3,(H,3,4);1H3
InChIKeyPFIMKQRRXWAPKA-UHFFFAOYSA-N
XLogP1.21
TPSA75.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze acetic acid;azane;N,N-dimethylpropan-1-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 acetic acid;azane;N,N-dimethylpropan-1-amine?
The IUPAC name of acetic acid;azane;N,N-dimethylpropan-1-amine (CID 89442730) is acetic acid;azane;N,N-dimethylpropan-1-amine.
What is the SMILES notation for acetic acid;azane;N,N-dimethylpropan-1-amine?
The canonical SMILES for acetic acid;azane;N,N-dimethylpropan-1-amine is CC(=O)O.CCCN(C)C.N.
What is the InChIKey of acetic acid;azane;N,N-dimethylpropan-1-amine?
The InChIKey is PFIMKQRRXWAPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C2H4O2.H3N/c1-4-5-6(2)3;1-2(3)4;/h4-5H2,1-3H3;1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;N,N-dimethylpropan-1-amine?
acetic acid;azane;N,N-dimethylpropan-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;N,N-dimethylpropan-1-amine is sourced from PubChem (CID 89442730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).