N-(2,4-dimethylpentan-2-yl)methanimine

C8H17N — CID 146407592

IUPACN-(2,4-dimethylpentan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)C
InChIInChI=1S/C8H17N/c1-7(2)6-8(3,4)9-5/h7H,5-6H2,1-4H3
InChIKeyBJKVFBOGRXLDLP-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.51
Rot. Bonds3

About N-(2,4-dimethylpentan-2-yl)methanimine

N-(2,4-dimethylpentan-2-yl)methanimine (PubChem CID 146407592) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-2-yl)methanimine
PubChem CID146407592
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-(2,4-dimethylpentan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)C
InChIInChI=1S/C8H17N/c1-7(2)6-8(3,4)9-5/h7H,5-6H2,1-4H3
InChIKeyBJKVFBOGRXLDLP-UHFFFAOYSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Heptanamine, N-methylene-4-propyl-
CID 3049081
N-methylene-t-octylamine
CID 14968871
N-[3-(fluoromethyl)-5-methylhexan-3-yl]methanimine
CID 169561930
N-(2,4-dimethylpentan-3-yl)methanimine
CID 53861989
N-(2,3,3,4-tetramethylpentan-2-yl)methanimine
CID 123286607
N-(2-methylhexan-2-yl)methanimine
CID 123308129
N-(2-methylpentan-2-yl)methanimine
CID 123705380
N-(4-ethylheptan-4-yl)methanimine
CID 142214376
N-(2,3,4-trimethylpentan-3-yl)methanimine
CID 142214385
N-(3-ethyl-2-methylpentan-2-yl)methanimine
CID 142214399
N-(3-ethyl-5-methylhexan-3-yl)methanimine
CID 142214422
N-(3-ethyl-2-methylpentan-3-yl)methanimine
CID 142214444

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-2-yl)methanimine?
The IUPAC name of N-(2,4-dimethylpentan-2-yl)methanimine (CID 146407592) is N-(2,4-dimethylpentan-2-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylpentan-2-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylpentan-2-yl)methanimine is C=NC(C)(C)CC(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-2-yl)methanimine?
The InChIKey is BJKVFBOGRXLDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-7(2)6-8(3,4)9-5/h7H,5-6H2,1-4H3.
What are the key properties of N-(2,4-dimethylpentan-2-yl)methanimine?
N-(2,4-dimethylpentan-2-yl)methanimine has a molecular weight of 127.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-2-yl)methanimine is sourced from PubChem (CID 146407592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).