(3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane

C13H24N2 — CID 165411131

IUPAC(3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane
SMILESC/C(=C(\C=C/N)C(C)C)C(C)C#N.CC
InChIInChI=1S/C11H18N2.C2H6/c1-8(2)11(5-6-12)10(4)9(3)7-13;1-2/h5-6,8-9H,12H2,1-4H3;1-2H3/b6-5-,11-10-;
InChIKeyLLUHFYPJPMXYJV-FYFNGVQZSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds3

About (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane

(3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane (PubChem CID 165411131) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane.

Molecular Properties

Compound Name(3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane
PubChem CID165411131
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane
SMILESC/C(=C(\C=C/N)C(C)C)C(C)C#N.CC
InChIInChI=1S/C11H18N2.C2H6/c1-8(2)11(5-6-12)10(4)9(3)7-13;1-2/h5-6,8-9H,12H2,1-4H3;1-2H3/b6-5-,11-10-;
InChIKeyLLUHFYPJPMXYJV-FYFNGVQZSA-N
XLogP3.62
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane with MolForge

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Related Compounds

CID 169173500
CID 169173500
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
(1Z,3Z)-6-methyl-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142529959
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
2,3-dimethylhex-3-enedinitrile
CID 54127231
5-amino-2-methyl-3,4-dioxohexanenitrile
CID 174439405
3-imino-2-methylbutanenitrile
CID 54304607
(2Z,3E)-2-(1-aminoethylidene)-3-ethyl-4-propan-2-ylhexa-3,5-dienenitrile
CID 167254968
2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
CID 59932316
2-cyano-N'-(3-methylbut-2-en-2-yl)propanimidamide
CID 123441225
(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine
CID 134400549
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane?
The IUPAC name of (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane (CID 165411131) is (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane.
What is the SMILES notation for (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane?
The canonical SMILES for (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane is C/C(=C(\C=C/N)C(C)C)C(C)C#N.CC.
What is the InChIKey of (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane?
The InChIKey is LLUHFYPJPMXYJV-FYFNGVQZSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-8(2)11(5-6-12)10(4)9(3)7-13;1-2/h5-6,8-9H,12H2,1-4H3;1-2H3/b6-5-,11-10-;.
What are the key properties of (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane?
(3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane has a molecular weight of 208.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-amino-2,3-dimethyl-4-propan-2-ylhexa-3,5-dienenitrile;ethane is sourced from PubChem (CID 165411131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).