decanoic acid;N',N'-dimethylpropane-1,3-diamine

C15H34N2O2 — CID 172855493

IUPACdecanoic acid;N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCC(=O)O.CN(C)CCCN
InChIInChI=1S/C10H20O2.C5H14N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-7(2)5-3-4-6/h2-9H2,1H3,(H,11,12);3-6H2,1-2H3
InChIKeyYQLCBNBCNQJZDA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.11
Rot. Bonds11

About decanoic acid;N',N'-dimethylpropane-1,3-diamine

decanoic acid;N',N'-dimethylpropane-1,3-diamine (PubChem CID 172855493) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is decanoic acid;N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Namedecanoic acid;N',N'-dimethylpropane-1,3-diamine
PubChem CID172855493
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Namedecanoic acid;N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCCCCCC(=O)O.CN(C)CCCN
InChIInChI=1S/C10H20O2.C5H14N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-7(2)5-3-4-6/h2-9H2,1H3,(H,11,12);3-6H2,1-2H3
InChIKeyYQLCBNBCNQJZDA-UHFFFAOYSA-N
XLogP3.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethylpropane-1,3-diamine;octanoic acid
CID 172808646
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
N'-[3-(dimethylamino)propyl]propane-1,3-diamine;octadecanoic acid
CID 172710538
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
CID 175605017
decan-1-amine;dodecanoic acid
CID 173305256
hexadecanoic acid;pentan-1-amine
CID 161401164
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246
7-aminoheptanoic acid;heptanoic acid
CID 157060940
icosan-1-amine;octadecanoic acid
CID 174740583
pentan-1-amine;tetradecanoic acid
CID 174809000

Frequently Asked Questions

What is the IUPAC name of decanoic acid;N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of decanoic acid;N',N'-dimethylpropane-1,3-diamine (CID 172855493) is decanoic acid;N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for decanoic acid;N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for decanoic acid;N',N'-dimethylpropane-1,3-diamine is CCCCCCCCCC(=O)O.CN(C)CCCN.
What is the InChIKey of decanoic acid;N',N'-dimethylpropane-1,3-diamine?
The InChIKey is YQLCBNBCNQJZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C5H14N2/c1-2-3-4-5-6-7-8-9-10(11)12;1-7(2)5-3-4-6/h2-9H2,1H3,(H,11,12);3-6H2,1-2H3.
What are the key properties of decanoic acid;N',N'-dimethylpropane-1,3-diamine?
decanoic acid;N',N'-dimethylpropane-1,3-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 172855493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).