butan-2-amine;butane;ethane;propan-2-one

C13H33NO — CID 143332762

IUPACbutan-2-amine;butane;ethane;propan-2-one
SMILESCC.CC(C)=O.CCC(C)N.CCCC
InChIInChI=1S/C4H11N.C4H10.C3H6O.C2H6/c1-3-4(2)5;1-3-4-2;1-3(2)4;1-2/h4H,3,5H2,1-2H3;3-4H2,1-2H3;1-2H3;1-2H3
InChIKeyMGYAOUBZHAPWCS-UHFFFAOYSA-N
MW219.41 g/mol
LogP4.17
Rot. Bonds2

About butan-2-amine;butane;ethane;propan-2-one

butan-2-amine;butane;ethane;propan-2-one (PubChem CID 143332762) has the molecular formula C13H33NO and a molecular weight of 219.41 g/mol. Its IUPAC name is butan-2-amine;butane;ethane;propan-2-one.

Molecular Properties

Compound Namebutan-2-amine;butane;ethane;propan-2-one
PubChem CID143332762
Molecular FormulaC13H33NO
Molecular Weight219.41 g/mol
Exact Mass219.26
IUPAC Namebutan-2-amine;butane;ethane;propan-2-one
SMILESCC.CC(C)=O.CCC(C)N.CCCC
InChIInChI=1S/C4H11N.C4H10.C3H6O.C2H6/c1-3-4(2)5;1-3-4-2;1-3(2)4;1-2/h4H,3,5H2,1-2H3;3-4H2,1-2H3;1-2H3;1-2H3
InChIKeyMGYAOUBZHAPWCS-UHFFFAOYSA-N
XLogP4.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
butan-2-amine;nitrous acid
CID 87072377
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
butane;ethane;methanol;2-methylbutane
CID 170758487
butan-2-amine;formonitrile
CID 157293075
ethane;ethyl 2-methylbutanoate
CID 144747106
butane;2-hydroxypropanamide
CID 87347972
acetyl fluoride;1-aminobutan-1-ol
CID 174904126
butan-2-one;ethane;2-methylpropane
CID 145444223
1,1-dichloropropane;propan-2-one
CID 174776719
acetic acid;2-methylbutane
CID 172862544
butane;carbonic acid;bis(2-methylpropane);propane
CID 175341234

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;butane;ethane;propan-2-one?
The IUPAC name of butan-2-amine;butane;ethane;propan-2-one (CID 143332762) is butan-2-amine;butane;ethane;propan-2-one.
What is the SMILES notation for butan-2-amine;butane;ethane;propan-2-one?
The canonical SMILES for butan-2-amine;butane;ethane;propan-2-one is CC.CC(C)=O.CCC(C)N.CCCC.
What is the InChIKey of butan-2-amine;butane;ethane;propan-2-one?
The InChIKey is MGYAOUBZHAPWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H10.C3H6O.C2H6/c1-3-4(2)5;1-3-4-2;1-3(2)4;1-2/h4H,3,5H2,1-2H3;3-4H2,1-2H3;1-2H3;1-2H3.
What are the key properties of butan-2-amine;butane;ethane;propan-2-one?
butan-2-amine;butane;ethane;propan-2-one has a molecular weight of 219.41 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;butane;ethane;propan-2-one is sourced from PubChem (CID 143332762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).