N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine

C16H31N — CID 142361554

IUPACN-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine
SMILESC=C/C(CC(C)(C)C)=N\C(CC)CC(C)(C)C
InChIInChI=1S/C16H31N/c1-9-13(11-15(3,4)5)17-14(10-2)12-16(6,7)8/h9,14H,1,10-12H2,2-8H3/b17-13+
InChIKeyOMGCSVFSEOCZLG-GHRIWEEISA-N
MW237.43 g/mol
LogP5.26
Rot. Bonds5

About N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine

N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine (PubChem CID 142361554) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine.

Molecular Properties

Compound NameN-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine
PubChem CID142361554
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine
SMILESC=C/C(CC(C)(C)C)=N\C(CC)CC(C)(C)C
InChIInChI=1S/C16H31N/c1-9-13(11-15(3,4)5)17-14(10-2)12-16(6,7)8/h9,14H,1,10-12H2,2-8H3/b17-13+
InChIKeyOMGCSVFSEOCZLG-GHRIWEEISA-N
XLogP5.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.26
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

N,3,3,5,5-pentamethylhept-6-en-2-imine
CID 123270736
5,6-dimethyl-5-prop-2-enyl-3,4-dihydro-2H-pyridine
CID 123379998
5-Ethenyl-3,3-dimethyl-2,4-dihydropyrrole
CID 141258836

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine?
The IUPAC name of N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine (CID 142361554) is N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine.
What is the SMILES notation for N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine?
The canonical SMILES for N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine is C=C/C(CC(C)(C)C)=N\C(CC)CC(C)(C)C.
What is the InChIKey of N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine?
The InChIKey is OMGCSVFSEOCZLG-GHRIWEEISA-N. The full InChI is InChI=1S/C16H31N/c1-9-13(11-15(3,4)5)17-14(10-2)12-16(6,7)8/h9,14H,1,10-12H2,2-8H3/b17-13+.
What are the key properties of N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine?
N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine has a molecular weight of 237.43 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexan-3-yl)-5,5-dimethylhex-1-en-3-imine is sourced from PubChem (CID 142361554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).