N-(2,3,4-trimethylpentan-3-yl)methanimine

C9H19N — CID 142214385

IUPACN-(2,3,4-trimethylpentan-3-yl)methanimine
SMILESC=NC(C)(C(C)C)C(C)C
InChIInChI=1S/C9H19N/c1-7(2)9(5,10-6)8(3)4/h7-8H,6H2,1-5H3
InChIKeyRDEKJILSYNYFBL-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.76
Rot. Bonds3

About N-(2,3,4-trimethylpentan-3-yl)methanimine

N-(2,3,4-trimethylpentan-3-yl)methanimine (PubChem CID 142214385) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-(2,3,4-trimethylpentan-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,3,4-trimethylpentan-3-yl)methanimine
PubChem CID142214385
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-(2,3,4-trimethylpentan-3-yl)methanimine
SMILESC=NC(C)(C(C)C)C(C)C
InChIInChI=1S/C9H19N/c1-7(2)9(5,10-6)8(3)4/h7-8H,6H2,1-5H3
InChIKeyRDEKJILSYNYFBL-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,3,4-trimethylpentan-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

Related Compounds

N-[(4Z)-2,3-dimethylhepta-4,6-dien-3-yl]methanimine
CID 170643371
2,3-dimethylbutan-2-ylazanium
CID 19594176
N-(2,4,6-trimethylheptan-4-yl)methanimine
CID 142214459
N-(2,4-dimethylpentan-2-yl)methanimine
CID 146407592
2,3-dimethyl-2-silylbutanenitrile
CID 175377699
(2R)-2-amino-2,3-dimethylbutanenitrile
CID 735791
(2R)-2-amino-2,3-dimethylbutanenitrile;hydrochloride
CID 18436311
tert-butyl 2-(methylideneamino)propanoate
CID 53443512
2,3-dimethyl(213C)butan-2-ol
CID 100985919
CID 123563572
CID 123563572
2,2-dibromo-3-methylbutane
CID 13047634
N-(4-methyloctan-4-yl)methanimine
CID 163935005

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trimethylpentan-3-yl)methanimine?
The IUPAC name of N-(2,3,4-trimethylpentan-3-yl)methanimine (CID 142214385) is N-(2,3,4-trimethylpentan-3-yl)methanimine.
What is the SMILES notation for N-(2,3,4-trimethylpentan-3-yl)methanimine?
The canonical SMILES for N-(2,3,4-trimethylpentan-3-yl)methanimine is C=NC(C)(C(C)C)C(C)C.
What is the InChIKey of N-(2,3,4-trimethylpentan-3-yl)methanimine?
The InChIKey is RDEKJILSYNYFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)9(5,10-6)8(3)4/h7-8H,6H2,1-5H3.
What are the key properties of N-(2,3,4-trimethylpentan-3-yl)methanimine?
N-(2,3,4-trimethylpentan-3-yl)methanimine has a molecular weight of 141.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trimethylpentan-3-yl)methanimine is sourced from PubChem (CID 142214385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).