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

C9H21NO2 — CID 173099075

IUPACN,N-dimethylbutan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCN(C)C
InChIInChI=1S/C6H15N.C3H6O2/c1-4-5-6-7(2)3;1-2-3(4)5/h4-6H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyMQCKURXQIDWFMD-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.83
Rot. Bonds4

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

N,N-dimethylbutan-1-amine;propanoic acid (PubChem CID 173099075) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N,N-dimethylbutan-1-amine;propanoic acid.

Molecular Properties

Compound NameN,N-dimethylbutan-1-amine;propanoic acid
PubChem CID173099075
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN,N-dimethylbutan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCN(C)C
InChIInChI=1S/C6H15N.C3H6O2/c1-4-5-6-7(2)3;1-2-3(4)5/h4-6H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyMQCKURXQIDWFMD-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619
N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
N,N-dibutylbutan-1-amine;propanoic acid
CID 173098736
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
CID 87839414
CID 87839414
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
2-chloroacetic acid;N,N-dimethyldodecan-1-amine
CID 71300539
decane;propanoic acid
CID 158826686
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
indigane;propanoic acid
CID 173208103

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbutan-1-amine;propanoic acid?
The IUPAC name of N,N-dimethylbutan-1-amine;propanoic acid (CID 173099075) is N,N-dimethylbutan-1-amine;propanoic acid.
What is the SMILES notation for N,N-dimethylbutan-1-amine;propanoic acid?
The canonical SMILES for N,N-dimethylbutan-1-amine;propanoic acid is CCC(=O)O.CCCCN(C)C.
What is the InChIKey of N,N-dimethylbutan-1-amine;propanoic acid?
The InChIKey is MQCKURXQIDWFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H6O2/c1-4-5-6-7(2)3;1-2-3(4)5/h4-6H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of N,N-dimethylbutan-1-amine;propanoic acid?
N,N-dimethylbutan-1-amine;propanoic acid has a molecular weight of 175.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbutan-1-amine;propanoic acid is sourced from PubChem (CID 173099075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).