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

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Related Compounds

butanoic acid;N,N-dimethylpropan-1-amine
CID 173099179
acetic acid;azane;propane
CID 173127482
acetic acid;N,N-dimethyldodecan-1-amine;guanidine
CID 174976714
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
N,N-dimethylbutan-1-amine;propanoic acid
CID 173099075
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
decanamide;N,N-dimethylpropan-1-amine
CID 160827812
acetic acid;azane;propan-1-amine
CID 22269600
N,N-dimethylpropan-1-amine;N-ethyl-N-methylethanamine
CID 118123590
N,N-dimethylpropan-1-amine;propane-1-sulfonic acid
CID 173037314
N,N-dimethylpropan-1-amine;methyl hydrogen sulfate
CID 174895397

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).