acetic acid;N,N-dimethylbutan-1-amine

C8H19NO2 — CID 22623645

IUPACacetic acid;N,N-dimethylbutan-1-amine
SMILESCC(=O)O.CCCCN(C)C
InChIInChI=1S/C6H15N.C2H4O2/c1-4-5-6-7(2)3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyBEERBRUWHDAWST-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.44
Rot. Bonds3

About acetic acid;N,N-dimethylbutan-1-amine

acetic acid;N,N-dimethylbutan-1-amine (PubChem CID 22623645) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is acetic acid;N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Nameacetic acid;N,N-dimethylbutan-1-amine
PubChem CID22623645
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameacetic acid;N,N-dimethylbutan-1-amine
SMILESCC(=O)O.CCCCN(C)C
InChIInChI=1S/C6H15N.C2H4O2/c1-4-5-6-7(2)3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)
InChIKeyBEERBRUWHDAWST-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;N,N-dimethylbutan-1-amine?
The IUPAC name of acetic acid;N,N-dimethylbutan-1-amine (CID 22623645) is acetic acid;N,N-dimethylbutan-1-amine.
What is the SMILES notation for acetic acid;N,N-dimethylbutan-1-amine?
The canonical SMILES for acetic acid;N,N-dimethylbutan-1-amine is CC(=O)O.CCCCN(C)C.
What is the InChIKey of acetic acid;N,N-dimethylbutan-1-amine?
The InChIKey is BEERBRUWHDAWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4O2/c1-4-5-6-7(2)3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;N,N-dimethylbutan-1-amine?
acetic acid;N,N-dimethylbutan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N,N-dimethylbutan-1-amine is sourced from PubChem (CID 22623645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).