(E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine

C13H23N — CID 130019239

IUPAC(E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine
SMILESCC(C)(C)C#C/C=C/CC(C)(C)CN
InChIInChI=1S/C13H23N/c1-12(2,3)9-7-6-8-10-13(4,5)11-14/h6,8H,10-11,14H2,1-5H3/b8-6+
InChIKeySVNRECRCEGVVHE-SOFGYWHQSA-N
MW193.33 g/mol
LogP2.97
Rot. Bonds3

About (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine

(E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine (PubChem CID 130019239) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine.

Molecular Properties

Compound Name(E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine
PubChem CID130019239
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine
SMILESCC(C)(C)C#C/C=C/CC(C)(C)CN
InChIInChI=1S/C13H23N/c1-12(2,3)9-7-6-8-10-13(4,5)11-14/h6,8H,10-11,14H2,1-5H3/b8-6+
InChIKeySVNRECRCEGVVHE-SOFGYWHQSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine?
The IUPAC name of (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine (CID 130019239) is (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine.
What is the SMILES notation for (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine?
The canonical SMILES for (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine is CC(C)(C)C#C/C=C/CC(C)(C)CN.
What is the InChIKey of (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine?
The InChIKey is SVNRECRCEGVVHE-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)9-7-6-8-10-13(4,5)11-14/h6,8H,10-11,14H2,1-5H3/b8-6+.
What are the key properties of (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine?
(E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,8,8-tetramethylnon-4-en-6-yn-1-amine is sourced from PubChem (CID 130019239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).