butanedioic acid;dec-2-en-1-amine

C14H27NO4 — CID 175176205

IUPACbutanedioic acid;dec-2-en-1-amine
SMILESCCCCCCCC=CCN.O=C(O)CCC(=O)O
InChIInChI=1S/C10H21N.C4H6O4/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7)8/h8-9H,2-7,10-11H2,1H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyKCFNVXUCALHQNH-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.80
Rot. Bonds10

About butanedioic acid;dec-2-en-1-amine

butanedioic acid;dec-2-en-1-amine (PubChem CID 175176205) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is butanedioic acid;dec-2-en-1-amine.

Molecular Properties

Compound Namebutanedioic acid;dec-2-en-1-amine
PubChem CID175176205
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namebutanedioic acid;dec-2-en-1-amine
SMILESCCCCCCCC=CCN.O=C(O)CCC(=O)O
InChIInChI=1S/C10H21N.C4H6O4/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7)8/h8-9H,2-7,10-11H2,1H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyKCFNVXUCALHQNH-UHFFFAOYSA-N
XLogP2.80
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
heptadec-4-enoic acid
CID 56621766
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(Z)-tetradec-4-enoic acid
CID 5312399

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;dec-2-en-1-amine?
The IUPAC name of butanedioic acid;dec-2-en-1-amine (CID 175176205) is butanedioic acid;dec-2-en-1-amine.
What is the SMILES notation for butanedioic acid;dec-2-en-1-amine?
The canonical SMILES for butanedioic acid;dec-2-en-1-amine is CCCCCCCC=CCN.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;dec-2-en-1-amine?
The InChIKey is KCFNVXUCALHQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C4H6O4/c1-2-3-4-5-6-7-8-9-10-11;5-3(6)1-2-4(7)8/h8-9H,2-7,10-11H2,1H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;dec-2-en-1-amine?
butanedioic acid;dec-2-en-1-amine has a molecular weight of 273.37 g/mol, XLogP of 2.80, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;dec-2-en-1-amine is sourced from PubChem (CID 175176205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).