(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile

C14H26N2 — CID 143334777

IUPAC(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile
SMILESCC(C)=CCC[C@H](C)CCC(C#N)N(C)C
InChIInChI=1S/C14H26N2/c1-12(2)7-6-8-13(3)9-10-14(11-15)16(4)5/h7,13-14H,6,8-10H2,1-5H3/t13-,14?/m0/s1
InChIKeyMPIIKCXPNCKLPI-LSLKUGRBSA-N
MW222.38 g/mol
LogP3.60
Rot. Bonds7

About (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile

(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile (PubChem CID 143334777) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile.

Molecular Properties

Compound Name(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile
PubChem CID143334777
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile
SMILESCC(C)=CCC[C@H](C)CCC(C#N)N(C)C
InChIInChI=1S/C14H26N2/c1-12(2)7-6-8-13(3)9-10-14(11-15)16(4)5/h7,13-14H,6,8-10H2,1-5H3/t13-,14?/m0/s1
InChIKeyMPIIKCXPNCKLPI-LSLKUGRBSA-N
XLogP3.60
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-(dimethylamino)-4,8-dimethylnon-7-enenitrile
CID 11557534
3,7-dimethyloct-6-enenitrile
CID 89052536
2-hydroxy-4,8-dimethylnon-7-enenitrile
CID 59050259
3,7-dimethyloct-6-enyl thiocyanate
CID 119088419
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
5,9-dimethyldeca-1,8-diene
CID 12578605
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
3,7-dimethyl-2-propan-2-yloct-6-enenitrile
CID 86099595
2,6,10-trimethylundec-2-ene
CID 14805750

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile?
The IUPAC name of (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile (CID 143334777) is (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile.
What is the SMILES notation for (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile?
The canonical SMILES for (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile is CC(C)=CCC[C@H](C)CCC(C#N)N(C)C.
What is the InChIKey of (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile?
The InChIKey is MPIIKCXPNCKLPI-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(2)7-6-8-13(3)9-10-14(11-15)16(4)5/h7,13-14H,6,8-10H2,1-5H3/t13-,14?/m0/s1.
What are the key properties of (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile?
(5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile has a molecular weight of 222.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(dimethylamino)-5,9-dimethyldec-8-enenitrile is sourced from PubChem (CID 143334777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).