N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine

C9H16N2 — CID 135188941

IUPACN'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine
SMILESC/N=C/C=N/C=C/C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)5-6-11-8-7-10-4/h5-8H,1-4H3/b6-5+,10-7+,11-8+
InChIKeyWFOWQMJXMJLNAW-CQBDNMEGSA-N
MW152.24 g/mol
LogP2.32
Rot. Bonds2

About N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine

N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine (PubChem CID 135188941) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine.

Molecular Properties

Compound NameN'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine
PubChem CID135188941
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine
SMILESC/N=C/C=N/C=C/C(C)(C)C
InChIInChI=1S/C9H16N2/c1-9(2,3)5-6-11-8-7-10-4/h5-8H,1-4H3/b6-5+,10-7+,11-8+
InChIKeyWFOWQMJXMJLNAW-CQBDNMEGSA-N
XLogP2.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-[(Z)-3,3-dimethylbut-1-enyl]-2,2-dimethylpropan-1-imine
CID 59734363
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59848846
2-methyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
CID 59967158
N-[(Z)-but-1-enyl]-2-methylbutan-1-imine
CID 88060174
N,2,2-trimethyl-N'-[(Z)-prop-1-enyl]propane-1,3-diimine
CID 88972420
N-[(Z)-3,3-dimethylpent-1-enyl]ethanimine
CID 89227035
N'-[(Z)-but-1-enyl]-N-methylethane-1,2-diimine
CID 89425232
N-methyl-N'-[(E)-4-methylpent-1-enyl]ethane-1,2-diimine
CID 91164354
2,2-dimethylpropane;ethane;3H-pyrrole
CID 91543785
N-[(Z)-3,3-dimethyl-1,2-ditritiobut-1-enyl]-2,2-dimethyl-1-tritiopropan-1-imine
CID 118606013

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine?
The IUPAC name of N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine (CID 135188941) is N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine.
What is the SMILES notation for N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine?
The canonical SMILES for N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine is C/N=C/C=N/C=C/C(C)(C)C.
What is the InChIKey of N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine?
The InChIKey is WFOWQMJXMJLNAW-CQBDNMEGSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)5-6-11-8-7-10-4/h5-8H,1-4H3/b6-5+,10-7+,11-8+.
What are the key properties of N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine?
N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3,3-dimethylbut-1-enyl]-N-methylethane-1,2-diimine is sourced from PubChem (CID 135188941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).