3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine

C14H27N — CID 11820414

IUPAC3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine
SMILESC=CC(CCC)C(C)(C)/C=N/CC(C)C
InChIInChI=1S/C14H27N/c1-7-9-13(8-2)14(5,6)11-15-10-12(3)4/h8,11-13H,2,7,9-10H2,1,3-6H3/b15-11+
InChIKeyBEDSDKCFUHUWDO-RVDMUPIBSA-N
MW209.38 g/mol
LogP4.34
Rot. Bonds7

About 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine

3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine (PubChem CID 11820414) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine.

Molecular Properties

Compound Name3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine
PubChem CID11820414
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine
SMILESC=CC(CCC)C(C)(C)/C=N/CC(C)C
InChIInChI=1S/C14H27N/c1-7-9-13(8-2)14(5,6)11-15-10-12(3)4/h8,11-13H,2,7,9-10H2,1,3-6H3/b15-11+
InChIKeyBEDSDKCFUHUWDO-RVDMUPIBSA-N
XLogP4.34
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 ≤ 54.34
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

N-(2-methylpentylidene)-N'-(2-methylpropyl)methanimidamide
CID 118100589
N-(3,6-dimethylhept-1-en-3-yl)methanimine
CID 142048327
(2R)-2-[(3R)-hex-1-en-3-yl]-2-methylheptanal
CID 101243076
3-ethyl-4,4,5-trimethylhex-1-ene
CID 22107331
2-methylpentane
CID 7892
3,4,5-trimethyloct-1-ene
CID 123841596
3-methylbut-1-ene;2-methylheptane
CID 157223055
(3S)-3-ethyl-2,2-dimethylpent-4-enal
CID 101372299
5-tert-butyl-4,6-dimethylnonane
CID 91526510
(2R,3S)-3-ethenyl-2-methylhexanoic acid
CID 101105350
3,5,6,6-tetramethyloct-1-ene
CID 123650579
N-ethyl-N-methyl-N'-(2-methylpropyl)methanimidamide
CID 163957094

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine?
The IUPAC name of 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine (CID 11820414) is 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine.
What is the SMILES notation for 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine?
The canonical SMILES for 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine is C=CC(CCC)C(C)(C)/C=N/CC(C)C.
What is the InChIKey of 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine?
The InChIKey is BEDSDKCFUHUWDO-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H27N/c1-7-9-13(8-2)14(5,6)11-15-10-12(3)4/h8,11-13H,2,7,9-10H2,1,3-6H3/b15-11+.
What are the key properties of 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine?
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine has a molecular weight of 209.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-imine is sourced from PubChem (CID 11820414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).