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

C13H24N2 — CID 11557534

IUPAC(4S)-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?/m0/s1
InChIKeyJPXBKVJYXCKAOY-UEWDXFNNSA-N
MW208.35 g/mol
LogP3.21
Rot. Bonds6

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

(4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile (PubChem CID 11557534) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile.

Molecular Properties

Compound Name(4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile
PubChem CID11557534
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(4S)-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?/m0/s1
InChIKeyJPXBKVJYXCKAOY-UEWDXFNNSA-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'}

Analyze (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile
CID 143334777
2-hydroxy-4,8-dimethylnon-7-enenitrile
CID 59050259
3,7-dimethyloct-6-enenitrile
CID 89052536
3,7-dimethyl-2-propan-2-yloct-6-enenitrile
CID 86099595
3,7-dimethyloct-6-enyl thiocyanate
CID 119088419
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
(2Z,4S,6R)-6,10-dimethylundeca-2,9-dien-4-ol
CID 139824549
3,7-dimethyloct-6-enal;3,7-dimethyloct-6-enenitrile
CID 174893210
5,9-dimethyldeca-1,8-diene
CID 12578605
CID 173125400
CID 173125400

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
The IUPAC name of (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile (CID 11557534) is (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile.
What is the SMILES notation for (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
The canonical SMILES for (4S)-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 (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
The InChIKey is JPXBKVJYXCKAOY-UEWDXFNNSA-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?/m0/s1.
What are the key properties of (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile?
(4S)-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 (4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile is sourced from PubChem (CID 11557534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).