N-(2,4,6-trimethylheptan-4-yl)methanimine

C11H23N — CID 142214459

IUPACN-(2,4,6-trimethylheptan-4-yl)methanimine
SMILESC=NC(C)(CC(C)C)CC(C)C
InChIInChI=1S/C11H23N/c1-9(2)7-11(5,12-6)8-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeySTOGXZYKBNCVLC-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.54
Rot. Bonds5

About N-(2,4,6-trimethylheptan-4-yl)methanimine

N-(2,4,6-trimethylheptan-4-yl)methanimine (PubChem CID 142214459) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(2,4,6-trimethylheptan-4-yl)methanimine.

Molecular Properties

Compound NameN-(2,4,6-trimethylheptan-4-yl)methanimine
PubChem CID142214459
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(2,4,6-trimethylheptan-4-yl)methanimine
SMILESC=NC(C)(CC(C)C)CC(C)C
InChIInChI=1S/C11H23N/c1-9(2)7-11(5,12-6)8-10(3)4/h9-10H,6-8H2,1-5H3
InChIKeySTOGXZYKBNCVLC-UHFFFAOYSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,4,6-trimethylheptan-4-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

Related Compounds

N-(2,4-dimethylpentan-2-yl)methanimine
CID 146407592
(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
CID 119025800
2-iodo-2,4-dimethylpentanenitrile
CID 58298002
N-[1-[[6-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-yl]methanimine
CID 123472685
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
N-(2,3,4-trimethylpentan-3-yl)methanimine
CID 142214385
CID 174450797
CID 174450797
3-(chloromethyl)-3,5-dimethylhex-1-ene
CID 102642065
N-(4-methyloctan-4-yl)methanimine
CID 163935005
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
2,4,5,5,8-pentamethyl-4-(2-methylpropyl)nonane
CID 123624473
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylheptan-4-yl)methanimine?
The IUPAC name of N-(2,4,6-trimethylheptan-4-yl)methanimine (CID 142214459) is N-(2,4,6-trimethylheptan-4-yl)methanimine.
What is the SMILES notation for N-(2,4,6-trimethylheptan-4-yl)methanimine?
The canonical SMILES for N-(2,4,6-trimethylheptan-4-yl)methanimine is C=NC(C)(CC(C)C)CC(C)C.
What is the InChIKey of N-(2,4,6-trimethylheptan-4-yl)methanimine?
The InChIKey is STOGXZYKBNCVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)7-11(5,12-6)8-10(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of N-(2,4,6-trimethylheptan-4-yl)methanimine?
N-(2,4,6-trimethylheptan-4-yl)methanimine has a molecular weight of 169.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylheptan-4-yl)methanimine is sourced from PubChem (CID 142214459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).