N-(2,4,5-trimethylhexan-3-yl)methanimine

C10H21N — CID 123223597

IUPACN-(2,4,5-trimethylhexan-3-yl)methanimine
SMILESC=NC(C(C)C)C(C)C(C)C
InChIInChI=1S/C10H21N/c1-7(2)9(5)10(11-6)8(3)4/h7-10H,6H2,1-5H3
InChIKeyFFZHPAGQEJFLMR-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.00
Rot. Bonds4

About N-(2,4,5-trimethylhexan-3-yl)methanimine

N-(2,4,5-trimethylhexan-3-yl)methanimine (PubChem CID 123223597) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N-(2,4,5-trimethylhexan-3-yl)methanimine.

Molecular Properties

Compound NameN-(2,4,5-trimethylhexan-3-yl)methanimine
PubChem CID123223597
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN-(2,4,5-trimethylhexan-3-yl)methanimine
SMILESC=NC(C(C)C)C(C)C(C)C
InChIInChI=1S/C10H21N/c1-7(2)9(5)10(11-6)8(3)4/h7-10H,6H2,1-5H3
InChIKeyFFZHPAGQEJFLMR-UHFFFAOYSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,4,5-trimethylhexan-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,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine
CID 610573
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28-heptacosamethylnonacosane;methane
CID 160593836
ethane;hydron;bis(2,3,4-trimethylpentane)
CID 160880864
N-[4-(methylideneamino)pentan-2-yl]methanimine
CID 20761828
(2S)-3-methyl-2-(methylideneamino)butanoic acid
CID 55300998
3,5-difluoro-2,4,6-trimethylheptane
CID 170657718
(2R,3R)-2-fluoro-3,4-dimethylpentane
CID 163563398
3-fluoro-2,4,5-trimethylhexane
CID 145154755
2,3-dimethyl-1-(methylideneamino)pentan-1-amine
CID 91477509
N-[bis(methylideneamino)methyl]methanimine
CID 140587638
N-[(Z)-pent-3-en-2-yl]methanimine
CID 144579517

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trimethylhexan-3-yl)methanimine?
The IUPAC name of N-(2,4,5-trimethylhexan-3-yl)methanimine (CID 123223597) is N-(2,4,5-trimethylhexan-3-yl)methanimine.
What is the SMILES notation for N-(2,4,5-trimethylhexan-3-yl)methanimine?
The canonical SMILES for N-(2,4,5-trimethylhexan-3-yl)methanimine is C=NC(C(C)C)C(C)C(C)C.
What is the InChIKey of N-(2,4,5-trimethylhexan-3-yl)methanimine?
The InChIKey is FFZHPAGQEJFLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-7(2)9(5)10(11-6)8(3)4/h7-10H,6H2,1-5H3.
What are the key properties of N-(2,4,5-trimethylhexan-3-yl)methanimine?
N-(2,4,5-trimethylhexan-3-yl)methanimine has a molecular weight of 155.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trimethylhexan-3-yl)methanimine is sourced from PubChem (CID 123223597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).