butanoic acid;N,N-dimethylpropan-1-amine

C9H21NO2 — CID 173099179

IUPACbutanoic acid;N,N-dimethylpropan-1-amine
SMILESCCCC(=O)O.CCCN(C)C
InChIInChI=1S/C5H13N.C4H8O2/c1-4-5-6(2)3;1-2-3-4(5)6/h4-5H2,1-3H3;2-3H2,1H3,(H,5,6)
InChIKeySXSJTTVEOFDTOA-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.83
Rot. Bonds4

About butanoic acid;N,N-dimethylpropan-1-amine

butanoic acid;N,N-dimethylpropan-1-amine (PubChem CID 173099179) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is butanoic acid;N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Namebutanoic acid;N,N-dimethylpropan-1-amine
PubChem CID173099179
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Namebutanoic acid;N,N-dimethylpropan-1-amine
SMILESCCCC(=O)O.CCCN(C)C
InChIInChI=1S/C5H13N.C4H8O2/c1-4-5-6(2)3;1-2-3-4(5)6/h4-5H2,1-3H3;2-3H2,1H3,(H,5,6)
InChIKeySXSJTTVEOFDTOA-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

CID 88693438
CID 88693438
acetic acid;azane;N,N-dimethylpropan-1-amine
CID 89442730
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
azane;butanoic acid
CID 173280540

Frequently Asked Questions

What is the IUPAC name of butanoic acid;N,N-dimethylpropan-1-amine?
The IUPAC name of butanoic acid;N,N-dimethylpropan-1-amine (CID 173099179) is butanoic acid;N,N-dimethylpropan-1-amine.
What is the SMILES notation for butanoic acid;N,N-dimethylpropan-1-amine?
The canonical SMILES for butanoic acid;N,N-dimethylpropan-1-amine is CCCC(=O)O.CCCN(C)C.
What is the InChIKey of butanoic acid;N,N-dimethylpropan-1-amine?
The InChIKey is SXSJTTVEOFDTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C4H8O2/c1-4-5-6(2)3;1-2-3-4(5)6/h4-5H2,1-3H3;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;N,N-dimethylpropan-1-amine?
butanoic acid;N,N-dimethylpropan-1-amine 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 butanoic acid;N,N-dimethylpropan-1-amine is sourced from PubChem (CID 173099179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).