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

C6H11N — CID 54166821

IUPACN,2-dimethylbut-2-en-1-imine
SMILESCC=C(C)/C=N/C
InChIInChI=1S/C6H11N/c1-4-6(2)5-7-3/h4-5H,1-3H3/b6-4?,7-5+
InChIKeySYWHDTKCYUCXDO-PKSVUWDWSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds1

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

N,2-dimethylbut-2-en-1-imine (PubChem CID 54166821) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N,2-dimethylbut-2-en-1-imine.

Molecular Properties

Compound NameN,2-dimethylbut-2-en-1-imine
PubChem CID54166821
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN,2-dimethylbut-2-en-1-imine
SMILESCC=C(C)/C=N/C
InChIInChI=1S/C6H11N/c1-4-6(2)5-7-3/h4-5H,1-3H3/b6-4?,7-5+
InChIKeySYWHDTKCYUCXDO-PKSVUWDWSA-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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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylbut-2-en-1-imine?
The IUPAC name of N,2-dimethylbut-2-en-1-imine (CID 54166821) is N,2-dimethylbut-2-en-1-imine.
What is the SMILES notation for N,2-dimethylbut-2-en-1-imine?
The canonical SMILES for N,2-dimethylbut-2-en-1-imine is CC=C(C)/C=N/C.
What is the InChIKey of N,2-dimethylbut-2-en-1-imine?
The InChIKey is SYWHDTKCYUCXDO-PKSVUWDWSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6(2)5-7-3/h4-5H,1-3H3/b6-4?,7-5+.
What are the key properties of N,2-dimethylbut-2-en-1-imine?
N,2-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,2-dimethylbut-2-en-1-imine is sourced from PubChem (CID 54166821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).