N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine

C12H22N2 — CID 143116167

IUPACN-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine
SMILESC=N/C(=C(\N=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)9(13-7)10(14-8)12(4,5)6/h7-8H2,1-6H3/b10-9-
InChIKeyMOWYRHHKFCZYIF-KTKRTIGZSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds2

About N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine

N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine (PubChem CID 143116167) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine
PubChem CID143116167
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine
SMILESC=N/C(=C(\N=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H22N2/c1-11(2,3)9(13-7)10(14-8)12(4,5)6/h7-8H2,1-6H3/b10-9-
InChIKeyMOWYRHHKFCZYIF-KTKRTIGZSA-N
XLogP3.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine?
The IUPAC name of N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine (CID 143116167) is N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine.
What is the SMILES notation for N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine?
The canonical SMILES for N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine is C=N/C(=C(\N=C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine?
The InChIKey is MOWYRHHKFCZYIF-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2,3)9(13-7)10(14-8)12(4,5)6/h7-8H2,1-6H3/b10-9-.
What are the key properties of N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine?
N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine has a molecular weight of 194.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,2,5,5-tetramethyl-4-(methylideneamino)hex-3-en-3-yl]methanimine is sourced from PubChem (CID 143116167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).