N,3-dimethylbut-2-en-1-imine

C6H11N — CID 557468

IUPACN,3-dimethylbut-2-en-1-imine
SMILESC/N=C/C=C(C)C
InChIInChI=1S/C6H11N/c1-6(2)4-5-7-3/h4-5H,1-3H3/b7-5+
InChIKeyDFOQDORWNLHNCK-FNORWQNLSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds1

About N,3-dimethylbut-2-en-1-imine

N,3-dimethylbut-2-en-1-imine (PubChem CID 557468) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N,3-dimethylbut-2-en-1-imine.

Molecular Properties

Compound NameN,3-dimethylbut-2-en-1-imine
PubChem CID557468
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN,3-dimethylbut-2-en-1-imine
SMILESC/N=C/C=C(C)C
InChIInChI=1S/C6H11N/c1-6(2)4-5-7-3/h4-5H,1-3H3/b7-5+
InChIKeyDFOQDORWNLHNCK-FNORWQNLSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
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

N-Tert-butyl-3-methyl-2-butenaldimine
CID 2733563
N-Tert-butylcrotonaldimine
CID 5702557
(Z)-N-tert-butylbut-2-en-1-imine
CID 5356232
(E)-N-prop-2-enylbut-2-en-1-imine
CID 15326645
2-methyl-N-propylprop-2-en-1-imine
CID 15326646
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
(E)-5-Azahepta-2,4-diene
CID 5463161
(Z)-N-(1-fluoro-2-methylprop-1-enyl)prop-2-en-1-imine
CID 143420585
(E)-3-fluoro-N-methylbut-2-en-1-imine
CID 146227339
N-ethyl-3-methylbut-2-enimidoyl fluoride
CID 147374438
But-2-enylidene-tert-butyl-amine
CID 243520
(E)-N-propylbut-2-en-1-imine
CID 10866289

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-2-en-1-imine?
The IUPAC name of N,3-dimethylbut-2-en-1-imine (CID 557468) is N,3-dimethylbut-2-en-1-imine.
What is the SMILES notation for N,3-dimethylbut-2-en-1-imine?
The canonical SMILES for N,3-dimethylbut-2-en-1-imine is C/N=C/C=C(C)C.
What is the InChIKey of N,3-dimethylbut-2-en-1-imine?
The InChIKey is DFOQDORWNLHNCK-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)4-5-7-3/h4-5H,1-3H3/b7-5+.
What are the key properties of N,3-dimethylbut-2-en-1-imine?
N,3-dimethylbut-2-en-1-imine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-en-1-imine is sourced from PubChem (CID 557468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).