N,2-dimethylprop-2-en-1-imine;ethane

C9H21N — CID 142851393

IUPACN,2-dimethylprop-2-en-1-imine;ethane
SMILESC=C(C)/C=N/C.CC.CC
InChIInChI=1S/C5H9N.2C2H6/c1-5(2)4-6-3;2*1-2/h4H,1H2,2-3H3;2*1-2H3/b6-4+;;
InChIKeyXQMWJZNCEFMSCQ-SLNOCBGISA-N
MW143.27 g/mol
LogP3.32
Rot. Bonds1

About N,2-dimethylprop-2-en-1-imine;ethane

N,2-dimethylprop-2-en-1-imine;ethane (PubChem CID 142851393) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,2-dimethylprop-2-en-1-imine;ethane.

Molecular Properties

Compound NameN,2-dimethylprop-2-en-1-imine;ethane
PubChem CID142851393
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,2-dimethylprop-2-en-1-imine;ethane
SMILESC=C(C)/C=N/C.CC.CC
InChIInChI=1S/C5H9N.2C2H6/c1-5(2)4-6-3;2*1-2/h4H,1H2,2-3H3;2*1-2H3/b6-4+;;
InChIKeyXQMWJZNCEFMSCQ-SLNOCBGISA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 53.32
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

2-[(Dimethylamino)methylene]-N1,N1,N3,N3-tetramethyl-1,3-propanediaminium
CID 10981176
2-methyl-N-propylprop-2-en-1-imine
CID 15326646
(Z)-3-fluoro-N,2-dimethylprop-2-en-1-imine
CID 134189427
2-(fluoromethyl)-N-methylprop-2-en-1-imine
CID 139563768
N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
(E)-N-tert-butyl-2-methylbut-2-en-1-imine
CID 10855536
2,2-dimethyl-N-(2-methylprop-2-enyl)propan-1-imine
CID 16083935
[(E)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 10803096
[(Z)-3-(dimethylamino)-2-methylprop-2-enylidene]-dimethylazanium
CID 12226447
N,2-dimethylprop-2-en-1-imine
CID 12510993
N-butyl-2-methylprop-2-en-1-imine
CID 12755625
2-(Dimethylazaniumylidenemethyl)but-2-enylidene-dimethylazanium
CID 18717956

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylprop-2-en-1-imine;ethane?
The IUPAC name of N,2-dimethylprop-2-en-1-imine;ethane (CID 142851393) is N,2-dimethylprop-2-en-1-imine;ethane.
What is the SMILES notation for N,2-dimethylprop-2-en-1-imine;ethane?
The canonical SMILES for N,2-dimethylprop-2-en-1-imine;ethane is C=C(C)/C=N/C.CC.CC.
What is the InChIKey of N,2-dimethylprop-2-en-1-imine;ethane?
The InChIKey is XQMWJZNCEFMSCQ-SLNOCBGISA-N. The full InChI is InChI=1S/C5H9N.2C2H6/c1-5(2)4-6-3;2*1-2/h4H,1H2,2-3H3;2*1-2H3/b6-4+;;.
What are the key properties of N,2-dimethylprop-2-en-1-imine;ethane?
N,2-dimethylprop-2-en-1-imine;ethane has a molecular weight of 143.27 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylprop-2-en-1-imine;ethane is sourced from PubChem (CID 142851393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).