(4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile

C13H24N2 — CID 11579369

IUPAC(4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile
SMILESCC(C)=CCC[C@@H](C)CC(C#N)N(C)C
InChIInChI=1S/C13H24N2/c1-11(2)7-6-8-12(3)9-13(10-14)15(4)5/h7,12-13H,6,8-9H2,1-5H3/t12-,13?/m1/s1
InChIKeyJPXBKVJYXCKAOY-PZORYLMUSA-N
MW208.35 g/mol
LogP3.21
Rot. Bonds6

About (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile

(4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile (PubChem CID 11579369) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile.

Molecular Properties

Compound Name(4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile
PubChem CID11579369
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile
SMILESCC(C)=CCC[C@@H](C)CC(C#N)N(C)C
InChIInChI=1S/C13H24N2/c1-11(2)7-6-8-12(3)9-13(10-14)15(4)5/h7,12-13H,6,8-9H2,1-5H3/t12-,13?/m1/s1
InChIKeyJPXBKVJYXCKAOY-PZORYLMUSA-N
XLogP3.21
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
The IUPAC name of (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile (CID 11579369) is (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile.
What is the SMILES notation for (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
The canonical SMILES for (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile is CC(C)=CCC[C@@H](C)CC(C#N)N(C)C.
What is the InChIKey of (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
The InChIKey is JPXBKVJYXCKAOY-PZORYLMUSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)7-6-8-12(3)9-13(10-14)15(4)5/h7,12-13H,6,8-9H2,1-5H3/t12-,13?/m1/s1.
What are the key properties of (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
(4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile has a molecular weight of 208.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile is sourced from PubChem (CID 11579369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).