2,9-dimethylidenedecanediamide

C12H20N2O2 — CID 22052797

IUPAC2,9-dimethylidenedecanediamide
SMILESC=C(CCCCCCC(=C)C(N)=O)C(N)=O
InChIInChI=1S/C12H20N2O2/c1-9(11(13)15)7-5-3-4-6-8-10(2)12(14)16/h1-8H2,(H2,13,15)(H2,14,16)
InChIKeySVQINMXRRXXGGA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds9

About 2,9-dimethylidenedecanediamide

2,9-dimethylidenedecanediamide (PubChem CID 22052797) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,9-dimethylidenedecanediamide.

Molecular Properties

Compound Name2,9-dimethylidenedecanediamide
PubChem CID22052797
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,9-dimethylidenedecanediamide
SMILESC=C(CCCCCCC(=C)C(N)=O)C(N)=O
InChIInChI=1S/C12H20N2O2/c1-9(11(13)15)7-5-3-4-6-8-10(2)12(14)16/h1-8H2,(H2,13,15)(H2,14,16)
InChIKeySVQINMXRRXXGGA-UHFFFAOYSA-N
XLogP1.41
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,13-dimethylidenetetradecanediamide
CID 87303548
2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
6-amino-2-methylidenehexanamide
CID 90258126
6-carbamoylhept-6-enoic acid
CID 172557406
2-methylidenehexanediamide
CID 22482529
16-(dimethylamino)-2-methylidenehexadecanamide
CID 23169563
5-chloro-2-methylidenepentanamide
CID 87433992
2-methylidene-8-(oxiran-2-yl)octanamide
CID 135222774
(Z)-2-methylideneicos-11-enamide
CID 87373212
2,3,4,5,6,7-hexamethylidenetridecanediamide
CID 154984566
5-(dimethylamino)-2-methylidenepentanamide
CID 18359659

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylidenedecanediamide?
The IUPAC name of 2,9-dimethylidenedecanediamide (CID 22052797) is 2,9-dimethylidenedecanediamide.
What is the SMILES notation for 2,9-dimethylidenedecanediamide?
The canonical SMILES for 2,9-dimethylidenedecanediamide is C=C(CCCCCCC(=C)C(N)=O)C(N)=O.
What is the InChIKey of 2,9-dimethylidenedecanediamide?
The InChIKey is SVQINMXRRXXGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(11(13)15)7-5-3-4-6-8-10(2)12(14)16/h1-8H2,(H2,13,15)(H2,14,16).
What are the key properties of 2,9-dimethylidenedecanediamide?
2,9-dimethylidenedecanediamide has a molecular weight of 224.30 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylidenedecanediamide is sourced from PubChem (CID 22052797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).