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

C11H23N — CID 142214375

IUPACN-(2,4,4-trimethylheptan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)(C)CCC
InChIInChI=1S/C11H23N/c1-7-8-10(2,3)9-11(4,5)12-6/h6-9H2,1-5H3
InChIKeyMVKVZXKLMCAIBY-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.68
Rot. Bonds5

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

N-(2,4,4-trimethylheptan-2-yl)methanimine (PubChem CID 142214375) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-(2,4,4-trimethylheptan-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,4,4-trimethylheptan-2-yl)methanimine
PubChem CID142214375
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-(2,4,4-trimethylheptan-2-yl)methanimine
SMILESC=NC(C)(C)CC(C)(C)CCC
InChIInChI=1S/C11H23N/c1-7-8-10(2,3)9-11(4,5)12-6/h6-9H2,1-5H3
InChIKeyMVKVZXKLMCAIBY-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylheptan-2-yl)methanimine?
The IUPAC name of N-(2,4,4-trimethylheptan-2-yl)methanimine (CID 142214375) is N-(2,4,4-trimethylheptan-2-yl)methanimine.
What is the SMILES notation for N-(2,4,4-trimethylheptan-2-yl)methanimine?
The canonical SMILES for N-(2,4,4-trimethylheptan-2-yl)methanimine is C=NC(C)(C)CC(C)(C)CCC.
What is the InChIKey of N-(2,4,4-trimethylheptan-2-yl)methanimine?
The InChIKey is MVKVZXKLMCAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-7-8-10(2,3)9-11(4,5)12-6/h6-9H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylheptan-2-yl)methanimine?
N-(2,4,4-trimethylheptan-2-yl)methanimine has a molecular weight of 169.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylheptan-2-yl)methanimine is sourced from PubChem (CID 142214375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).