decane-1,10-diamine;dodecanedioic acid

C22H46N2O4 — CID 21082903

IUPACdecane-1,10-diamine;dodecanedioic acid
SMILESNCCCCCCCCCCN.O=C(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C12H22O4.C10H24N2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,(H,13,14)(H,15,16);1-12H2
InChIKeyALLFZVZMBHUMOB-UHFFFAOYSA-N
MW402.62 g/mol
LogP5.08
Rot. Bonds20

About decane-1,10-diamine;dodecanedioic acid

decane-1,10-diamine;dodecanedioic acid (PubChem CID 21082903) has the molecular formula C22H46N2O4 and a molecular weight of 402.62 g/mol. Its IUPAC name is decane-1,10-diamine;dodecanedioic acid.

Molecular Properties

Compound Namedecane-1,10-diamine;dodecanedioic acid
PubChem CID21082903
Molecular FormulaC22H46N2O4
Molecular Weight402.62 g/mol
Exact Mass402.35
IUPAC Namedecane-1,10-diamine;dodecanedioic acid
SMILESNCCCCCCCCCCN.O=C(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C12H22O4.C10H24N2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,(H,13,14)(H,15,16);1-12H2
InChIKeyALLFZVZMBHUMOB-UHFFFAOYSA-N
XLogP5.08
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 55.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-Aminododecanoic Acid
CID 69661
11-Aminoundecanoic acid
CID 17083
8-Aminooctanoic acid
CID 66085
7-Aminoheptanoic acid
CID 13580
Hexamethylenediamine adipate
CID 197024
Decanedioic acid, compd. with 1,6-hexanediamine (1:1)
CID 165736
7,8-Diaminononanoic acid
CID 652
(S)-2-Aminooctanedioic acid
CID 7009575
10-Aminodecanoic acid
CID 83150
9-Aminononanoic acid
CID 136877
Dodecanedioic acid, compd. with 1,6-hexanediamine (1:1)
CID 83216
7,8-Diamino-Nonanoic Acid
CID 445025

Frequently Asked Questions

What is the IUPAC name of decane-1,10-diamine;dodecanedioic acid?
The IUPAC name of decane-1,10-diamine;dodecanedioic acid (CID 21082903) is decane-1,10-diamine;dodecanedioic acid.
What is the SMILES notation for decane-1,10-diamine;dodecanedioic acid?
The canonical SMILES for decane-1,10-diamine;dodecanedioic acid is NCCCCCCCCCCN.O=C(O)CCCCCCCCCCC(=O)O.
What is the InChIKey of decane-1,10-diamine;dodecanedioic acid?
The InChIKey is ALLFZVZMBHUMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4.C10H24N2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2,(H,13,14)(H,15,16);1-12H2.
What are the key properties of decane-1,10-diamine;dodecanedioic acid?
decane-1,10-diamine;dodecanedioic acid has a molecular weight of 402.62 g/mol, XLogP of 5.08, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,10-diamine;dodecanedioic acid is sourced from PubChem (CID 21082903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).