5,5-dimethylnon-7-en-3-ylidenecyanamide

C12H20N2 — CID 90791514

IUPAC5,5-dimethylnon-7-en-3-ylidenecyanamide
SMILESCC=CCC(C)(C)C/C(CC)=N/C#N
InChIInChI=1S/C12H20N2/c1-5-7-8-12(3,4)9-11(6-2)14-10-13/h5,7H,6,8-9H2,1-4H3/b7-5?,14-11+
InChIKeyRSPDHYKMHXMLJC-LVKXPQLFSA-N
MW192.31 g/mol
LogP3.70
Rot. Bonds5

About 5,5-dimethylnon-7-en-3-ylidenecyanamide

5,5-dimethylnon-7-en-3-ylidenecyanamide (PubChem CID 90791514) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5,5-dimethylnon-7-en-3-ylidenecyanamide.

Molecular Properties

Compound Name5,5-dimethylnon-7-en-3-ylidenecyanamide
PubChem CID90791514
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5,5-dimethylnon-7-en-3-ylidenecyanamide
SMILESCC=CCC(C)(C)C/C(CC)=N/C#N
InChIInChI=1S/C12H20N2/c1-5-7-8-12(3,4)9-11(6-2)14-10-13/h5,7H,6,8-9H2,1-4H3/b7-5?,14-11+
InChIKeyRSPDHYKMHXMLJC-LVKXPQLFSA-N
XLogP3.70
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(4E)-8-imino-2,2,7,7-tetramethyldeca-4,9-dien-3-ylidene]cyanamide
CID 138507145
ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine
CID 166088744
(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine
CID 166088745

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylnon-7-en-3-ylidenecyanamide?
The IUPAC name of 5,5-dimethylnon-7-en-3-ylidenecyanamide (CID 90791514) is 5,5-dimethylnon-7-en-3-ylidenecyanamide.
What is the SMILES notation for 5,5-dimethylnon-7-en-3-ylidenecyanamide?
The canonical SMILES for 5,5-dimethylnon-7-en-3-ylidenecyanamide is CC=CCC(C)(C)C/C(CC)=N/C#N.
What is the InChIKey of 5,5-dimethylnon-7-en-3-ylidenecyanamide?
The InChIKey is RSPDHYKMHXMLJC-LVKXPQLFSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-8-12(3,4)9-11(6-2)14-10-13/h5,7H,6,8-9H2,1-4H3/b7-5?,14-11+.
What are the key properties of 5,5-dimethylnon-7-en-3-ylidenecyanamide?
5,5-dimethylnon-7-en-3-ylidenecyanamide has a molecular weight of 192.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylnon-7-en-3-ylidenecyanamide is sourced from PubChem (CID 90791514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).