N-tert-butyl-2,6-dimethylheptan-4-imine

C13H27N — CID 155787750

IUPACN-tert-butyl-2,6-dimethylheptan-4-imine
SMILESCC(C)CC(CC(C)C)=NC(C)(C)C
InChIInChI=1S/C13H27N/c1-10(2)8-12(9-11(3)4)14-13(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyYIAVLWSZYVMBTB-UHFFFAOYSA-N
MW197.37 g/mol
LogP4.32
Rot. Bonds4

About N-tert-butyl-2,6-dimethylheptan-4-imine

N-tert-butyl-2,6-dimethylheptan-4-imine (PubChem CID 155787750) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-2,6-dimethylheptan-4-imine.

Molecular Properties

Compound NameN-tert-butyl-2,6-dimethylheptan-4-imine
PubChem CID155787750
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-2,6-dimethylheptan-4-imine
SMILESCC(C)CC(CC(C)C)=NC(C)(C)C
InChIInChI=1S/C13H27N/c1-10(2)8-12(9-11(3)4)14-13(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyYIAVLWSZYVMBTB-UHFFFAOYSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.32
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-tert-butyl-2,6-dimethylheptan-4-imine?
The IUPAC name of N-tert-butyl-2,6-dimethylheptan-4-imine (CID 155787750) is N-tert-butyl-2,6-dimethylheptan-4-imine.
What is the SMILES notation for N-tert-butyl-2,6-dimethylheptan-4-imine?
The canonical SMILES for N-tert-butyl-2,6-dimethylheptan-4-imine is CC(C)CC(CC(C)C)=NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,6-dimethylheptan-4-imine?
The InChIKey is YIAVLWSZYVMBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)8-12(9-11(3)4)14-13(5,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-2,6-dimethylheptan-4-imine?
N-tert-butyl-2,6-dimethylheptan-4-imine has a molecular weight of 197.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dimethylheptan-4-imine is sourced from PubChem (CID 155787750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).