N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine

C13H23N — CID 166490126

IUPACN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C(=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H23N/c1-10(12(3,4)5)9-14-11(2)13(6,7)8/h9H,1-2H2,3-8H3/b14-9+
InChIKeyXAVGYOXAMLDDRU-NTEUORMPSA-N
MW193.33 g/mol
LogP4.22
Rot. Bonds2

About N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine

N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine (PubChem CID 166490126) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine
PubChem CID166490126
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine
SMILESC=C(/C=N/C(=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H23N/c1-10(12(3,4)5)9-14-11(2)13(6,7)8/h9H,1-2H2,3-8H3/b14-9+
InChIKeyXAVGYOXAMLDDRU-NTEUORMPSA-N
XLogP4.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.22
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

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CID 88949138
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CID 89953286
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CID 90884825
CID 90884825
CID 90989766
CID 90989766
CID 90997151
CID 90997151
CID 90998038
CID 90998038
CID 91031927
CID 91031927
CID 91047286
CID 91047286
CID 91075817
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CID 91088958
CID 91088958

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine (CID 166490126) is N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine is C=C(/C=N/C(=C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine?
The InChIKey is XAVGYOXAMLDDRU-NTEUORMPSA-N. The full InChI is InChI=1S/C13H23N/c1-10(12(3,4)5)9-14-11(2)13(6,7)8/h9H,1-2H2,3-8H3/b14-9+.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine?
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine is sourced from PubChem (CID 166490126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).