N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine

C16H33N — CID 10060177

IUPACN-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine
SMILESCCC(C)CC(/C=N/C(C)(C)C)CC(C)CC
InChIInChI=1S/C16H33N/c1-8-13(3)10-15(11-14(4)9-2)12-17-16(5,6)7/h12-15H,8-11H2,1-7H3/b17-12+
InChIKeyURLGXIYQGXMEBU-SFQUDFHCSA-N
MW239.45 g/mol
LogP5.34
Rot. Bonds7

About N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine

N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine (PubChem CID 10060177) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine
PubChem CID10060177
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine
SMILESCCC(C)CC(/C=N/C(C)(C)C)CC(C)CC
InChIInChI=1S/C16H33N/c1-8-13(3)10-15(11-14(4)9-2)12-17-16(5,6)7/h12-15H,8-11H2,1-7H3/b17-12+
InChIKeyURLGXIYQGXMEBU-SFQUDFHCSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine 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,4,7-trimethyl-2-propylnonan-1-imine
CID 163631549
2-bromo-N-tert-butylpropan-1-imine
CID 12521296
N-tert-butyl-2,3-dimethylbutan-1-imine
CID 148774649
3,5-dimethylheptane;ethane
CID 172617343
2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine
CID 10036314
(4S)-2,4-dimethylhexane
CID 22810193
(5S)-2,2,5-trimethylheptan-3-ol
CID 91117012
2,2,3,4,6-pentamethyloctane
CID 57491075
azane;2,2,4-trimethylhexane
CID 87634842
3,3,5,7-tetramethylnonane
CID 57490983
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine?
The IUPAC name of N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine (CID 10060177) is N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine.
What is the SMILES notation for N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine?
The canonical SMILES for N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine is CCC(C)CC(/C=N/C(C)(C)C)CC(C)CC.
What is the InChIKey of N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine?
The InChIKey is URLGXIYQGXMEBU-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H33N/c1-8-13(3)10-15(11-14(4)9-2)12-17-16(5,6)7/h12-15H,8-11H2,1-7H3/b17-12+.
What are the key properties of N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine?
N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine has a molecular weight of 239.45 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine is sourced from PubChem (CID 10060177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).