(Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine

C14H27N — CID 123197704

IUPAC(Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine
SMILES[H]/N=C(\C=C/CC(C)(C)C)C(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-11(14(5,6)7)12(15)9-8-10-13(2,3)4/h8-9,11,15H,10H2,1-7H3/b9-8-,15-12+
InChIKeyJQQICZMLFCEBAT-LNJBCKSWSA-N
MW209.38 g/mol
LogP4.68
Rot. Bonds3

About (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine

(Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine (PubChem CID 123197704) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine.

Molecular Properties

Compound Name(Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine
PubChem CID123197704
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine
SMILES[H]/N=C(\C=C/CC(C)(C)C)C(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-11(14(5,6)7)12(15)9-8-10-13(2,3)4/h8-9,11,15H,10H2,1-7H3/b9-8-,15-12+
InChIKeyJQQICZMLFCEBAT-LNJBCKSWSA-N
XLogP4.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine?
The IUPAC name of (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine (CID 123197704) is (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine.
What is the SMILES notation for (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine?
The canonical SMILES for (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine is [H]/N=C(\C=C/CC(C)(C)C)C(C)C(C)(C)C.
What is the InChIKey of (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine?
The InChIKey is JQQICZMLFCEBAT-LNJBCKSWSA-N. The full InChI is InChI=1S/C14H27N/c1-11(14(5,6)7)12(15)9-8-10-13(2,3)4/h8-9,11,15H,10H2,1-7H3/b9-8-,15-12+.
What are the key properties of (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine?
(Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine has a molecular weight of 209.38 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,3,8,8-pentamethylnon-5-en-4-imine is sourced from PubChem (CID 123197704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).