decane-1,10-diamine;nonanedioic acid

C19H40N2O4 — CID 21330243

IUPACdecane-1,10-diamine;nonanedioic acid
SMILESNCCCCCCCCCCN.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C10H24N2.C9H16O4/c11-9-7-5-3-1-2-4-6-8-10-12;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-12H2;1-7H2,(H,10,11)(H,12,13)
InChIKeyQPSBCOBTVGYOKU-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.91
Rot. Bonds17

About decane-1,10-diamine;nonanedioic acid

decane-1,10-diamine;nonanedioic acid (PubChem CID 21330243) has the molecular formula C19H40N2O4 and a molecular weight of 360.54 g/mol. Its IUPAC name is decane-1,10-diamine;nonanedioic acid.

Molecular Properties

Compound Namedecane-1,10-diamine;nonanedioic acid
PubChem CID21330243
Molecular FormulaC19H40N2O4
Molecular Weight360.54 g/mol
Exact Mass360.30
IUPAC Namedecane-1,10-diamine;nonanedioic acid
SMILESNCCCCCCCCCCN.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C10H24N2.C9H16O4/c11-9-7-5-3-1-2-4-6-8-10-12;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-12H2;1-7H2,(H,10,11)(H,12,13)
InChIKeyQPSBCOBTVGYOKU-UHFFFAOYSA-N
XLogP3.91
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of decane-1,10-diamine;nonanedioic acid?
The IUPAC name of decane-1,10-diamine;nonanedioic acid (CID 21330243) is decane-1,10-diamine;nonanedioic acid.
What is the SMILES notation for decane-1,10-diamine;nonanedioic acid?
The canonical SMILES for decane-1,10-diamine;nonanedioic acid is NCCCCCCCCCCN.O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of decane-1,10-diamine;nonanedioic acid?
The InChIKey is QPSBCOBTVGYOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.C9H16O4/c11-9-7-5-3-1-2-4-6-8-10-12;10-8(11)6-4-2-1-3-5-7-9(12)13/h1-12H2;1-7H2,(H,10,11)(H,12,13).
What are the key properties of decane-1,10-diamine;nonanedioic acid?
decane-1,10-diamine;nonanedioic acid has a molecular weight of 360.54 g/mol, XLogP of 3.91, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,10-diamine;nonanedioic acid is sourced from PubChem (CID 21330243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).