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

C15H33NO2 — CID 173098736

IUPACN,N-dibutylbutan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.C3H6O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3(4)5/h4-12H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyBBJZSAIJLMWQFK-UHFFFAOYSA-N
MW259.43 g/mol
LogP4.17
Rot. Bonds10

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

N,N-dibutylbutan-1-amine;propanoic acid (PubChem CID 173098736) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;propanoic acid.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;propanoic acid
PubChem CID173098736
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN,N-dibutylbutan-1-amine;propanoic acid
SMILESCCC(=O)O.CCCCN(CCCC)CCCC
InChIInChI=1S/C12H27N.C3H6O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3(4)5/h4-12H2,1-3H3;2H2,1H3,(H,4,5)
InChIKeyBBJZSAIJLMWQFK-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
bis(N,N-dibutylbutan-1-amine);pentanedioic acid
CID 173189158
N,N-dimethylbutan-1-amine;propanoic acid
CID 173099075
carbonic acid;N,N-dipentylpentan-1-amine
CID 157318586
(Z)-but-2-enedioic acid;bis(N,N-dibutylbutan-1-amine)
CID 173189126
N,N-dibutylbutan-1-amine;methyl hydrogen carbonate
CID 175024513
decane;propanoic acid
CID 158826686
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
4-[butyl(ethyl)amino]butanoic acid
CID 20991778

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;propanoic acid?
The IUPAC name of N,N-dibutylbutan-1-amine;propanoic acid (CID 173098736) is N,N-dibutylbutan-1-amine;propanoic acid.
What is the SMILES notation for N,N-dibutylbutan-1-amine;propanoic acid?
The canonical SMILES for N,N-dibutylbutan-1-amine;propanoic acid is CCC(=O)O.CCCCN(CCCC)CCCC.
What is the InChIKey of N,N-dibutylbutan-1-amine;propanoic acid?
The InChIKey is BBJZSAIJLMWQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C3H6O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3(4)5/h4-12H2,1-3H3;2H2,1H3,(H,4,5).
What are the key properties of N,N-dibutylbutan-1-amine;propanoic acid?
N,N-dibutylbutan-1-amine;propanoic acid has a molecular weight of 259.43 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;propanoic acid is sourced from PubChem (CID 173098736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).