acetylene;butanoic acid;methanamine;4-methylpentanoic acid

C14H32N2O4 — CID 170707206

IUPACacetylene;butanoic acid;methanamine;4-methylpentanoic acid
SMILESC#C.CC(C)CCC(=O)O.CCCC(=O)O.CN.CN
InChIInChI=1S/C6H12O2.C4H8O2.C2H2.2CH5N/c1-5(2)3-4-6(7)8;1-2-3-4(5)6;3*1-2/h5H,3-4H2,1-2H3,(H,7,8);2-3H2,1H3,(H,5,6);1-2H;2*2H2,1H3
InChIKeyCBVZWGBKDUXPBY-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.78
Rot. Bonds5

About acetylene;butanoic acid;methanamine;4-methylpentanoic acid

acetylene;butanoic acid;methanamine;4-methylpentanoic acid (PubChem CID 170707206) has the molecular formula C14H32N2O4 and a molecular weight of 292.42 g/mol. Its IUPAC name is acetylene;butanoic acid;methanamine;4-methylpentanoic acid.

Molecular Properties

Compound Nameacetylene;butanoic acid;methanamine;4-methylpentanoic acid
PubChem CID170707206
Molecular FormulaC14H32N2O4
Molecular Weight292.42 g/mol
Exact Mass292.24
IUPAC Nameacetylene;butanoic acid;methanamine;4-methylpentanoic acid
SMILESC#C.CC(C)CCC(=O)O.CCCC(=O)O.CN.CN
InChIInChI=1S/C6H12O2.C4H8O2.C2H2.2CH5N/c1-5(2)3-4-6(7)8;1-2-3-4(5)6;3*1-2/h5H,3-4H2,1-2H3,(H,7,8);2-3H2,1H3,(H,5,6);1-2H;2*2H2,1H3
InChIKeyCBVZWGBKDUXPBY-UHFFFAOYSA-N
XLogP1.78
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

butanoic acid;2-methylpentane
CID 87252946
magnesium;hydride;4-methylpentanoic acid
CID 174689724
dialuminum;butanoic acid
CID 175897781
4-methylpentanoic acid;octanoic acid
CID 88696485
1-aminoethanol;butanoic acid
CID 173051358
4-methylpentanoic acid;2-methylpropan-1-ol;hydrate
CID 87856192
butanoic acid;2-methylpropanoic acid
CID 87150327
butanoic acid;praseodymium
CID 88777452
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506

Frequently Asked Questions

What is the IUPAC name of acetylene;butanoic acid;methanamine;4-methylpentanoic acid?
The IUPAC name of acetylene;butanoic acid;methanamine;4-methylpentanoic acid (CID 170707206) is acetylene;butanoic acid;methanamine;4-methylpentanoic acid.
What is the SMILES notation for acetylene;butanoic acid;methanamine;4-methylpentanoic acid?
The canonical SMILES for acetylene;butanoic acid;methanamine;4-methylpentanoic acid is C#C.CC(C)CCC(=O)O.CCCC(=O)O.CN.CN.
What is the InChIKey of acetylene;butanoic acid;methanamine;4-methylpentanoic acid?
The InChIKey is CBVZWGBKDUXPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H8O2.C2H2.2CH5N/c1-5(2)3-4-6(7)8;1-2-3-4(5)6;3*1-2/h5H,3-4H2,1-2H3,(H,7,8);2-3H2,1H3,(H,5,6);1-2H;2*2H2,1H3.
What are the key properties of acetylene;butanoic acid;methanamine;4-methylpentanoic acid?
acetylene;butanoic acid;methanamine;4-methylpentanoic acid has a molecular weight of 292.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;butanoic acid;methanamine;4-methylpentanoic acid is sourced from PubChem (CID 170707206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).