N-ethylethanamine;nonanedioic acid

C13H27NO4 — CID 14150788

IUPACN-ethylethanamine;nonanedioic acid
SMILESCCNCC.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4.C4H11N/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-3-5-4-2/h1-7H2,(H,10,11)(H,12,13);5H,3-4H2,1-2H3
InChIKeyCDAIKWBFCRKCQW-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.50
Rot. Bonds10

About N-ethylethanamine;nonanedioic acid

N-ethylethanamine;nonanedioic acid (PubChem CID 14150788) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-ethylethanamine;nonanedioic acid.

Molecular Properties

Compound NameN-ethylethanamine;nonanedioic acid
PubChem CID14150788
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC NameN-ethylethanamine;nonanedioic acid
SMILESCCNCC.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4.C4H11N/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-3-5-4-2/h1-7H2,(H,10,11)(H,12,13);5H,3-4H2,1-2H3
InChIKeyCDAIKWBFCRKCQW-UHFFFAOYSA-N
XLogP2.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(ethylamino)decanoic acid
CID 57308942
N-ethylethanamine;hexanoic acid;vanadium
CID 174668007
CID 57488644
CID 57488644
N-ethylethanamine;12-hydroxyoctadecanoic acid
CID 161341223
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;nonanedioic acid?
The IUPAC name of N-ethylethanamine;nonanedioic acid (CID 14150788) is N-ethylethanamine;nonanedioic acid.
What is the SMILES notation for N-ethylethanamine;nonanedioic acid?
The canonical SMILES for N-ethylethanamine;nonanedioic acid is CCNCC.O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of N-ethylethanamine;nonanedioic acid?
The InChIKey is CDAIKWBFCRKCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C4H11N/c10-8(11)6-4-2-1-3-5-7-9(12)13;1-3-5-4-2/h1-7H2,(H,10,11)(H,12,13);5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;nonanedioic acid?
N-ethylethanamine;nonanedioic acid has a molecular weight of 261.36 g/mol, XLogP of 2.50, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;nonanedioic acid is sourced from PubChem (CID 14150788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).