N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine

C14H27N — CID 163918788

IUPACN-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine
SMILESC=CC(CCC(C)(C)CC)/N=C/C(C)C
InChIInChI=1S/C14H27N/c1-7-13(15-11-12(3)4)9-10-14(5,6)8-2/h7,11-13H,1,8-10H2,2-6H3/b15-11+
InChIKeyQYPHVDSRTXLJRE-RVDMUPIBSA-N
MW209.38 g/mol
LogP4.48
Rot. Bonds7

About N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine

N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine (PubChem CID 163918788) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine
PubChem CID163918788
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine
SMILESC=CC(CCC(C)(C)CC)/N=C/C(C)C
InChIInChI=1S/C14H27N/c1-7-13(15-11-12(3)4)9-10-14(5,6)8-2/h7,11-13H,1,8-10H2,2-6H3/b15-11+
InChIKeyQYPHVDSRTXLJRE-RVDMUPIBSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4Z,8Z)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436140
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540
(4E,8E)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811544
11-Methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 53803190
3-Ethyl-3-n-butyl-12-(3-heptyl)-1-aza-1,5,9-cyclododecatriene
CID 54478278
2-(3,3-Dimethylpentyl)-1-azacyclododeca-4,8,12-triene
CID 70585406
N-butyl-5-ethenyloct-7-en-1-imine
CID 89392711
5,5-Dimethylnon-1-en-4-yl-methyl-propylideneazanium
CID 90881599
N-[3-[(E)-prop-1-enyl]heptan-2-yl]propan-1-imine
CID 118616226
3-ethenyl-4,5,6-trimethyl-2-prop-1-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 123199977
N-(5-methyl-7-propyldec-1-en-4-yl)ethanimine
CID 123276436

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine?
The IUPAC name of N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine (CID 163918788) is N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine.
What is the SMILES notation for N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine?
The canonical SMILES for N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine is C=CC(CCC(C)(C)CC)/N=C/C(C)C.
What is the InChIKey of N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine?
The InChIKey is QYPHVDSRTXLJRE-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H27N/c1-7-13(15-11-12(3)4)9-10-14(5,6)8-2/h7,11-13H,1,8-10H2,2-6H3/b15-11+.
What are the key properties of N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine?
N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyloct-1-en-3-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 163918788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).