ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine

C11H21N — CID 145365393

IUPACethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
SMILESC=C/C(C)=N/C(C)=C(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-6-8(4)10-9(5)7(2)3;1-2/h6H,1H2,2-5H3;1-2H3/b10-8+;
InChIKeyACYYFZZMIVTORW-VRTOBVRTSA-N
MW167.30 g/mol
LogP3.97
Rot. Bonds2

About ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine

ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine (PubChem CID 145365393) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine.

Molecular Properties

Compound Nameethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
PubChem CID145365393
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
SMILESC=C/C(C)=N/C(C)=C(C)C.CC
InChIInChI=1S/C9H15N.C2H6/c1-6-8(4)10-9(5)7(2)3;1-2/h6H,1H2,2-5H3;1-2H3/b10-8+;
InChIKeyACYYFZZMIVTORW-VRTOBVRTSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.97
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

1,1,1-trifluoro-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 144377747
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine
CID 88268410
N-[(2E)-3-methylpenta-2,4-dien-2-yl]propan-2-imine
CID 88973762
N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 88973763
3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 89150851
N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine
CID 89258689
3-N-(3-methylbut-2-en-2-yl)pent-4-ene-2,3-diimine
CID 89467580
N-(1-cyclopropylidenepropyl)but-3-en-2-imine
CID 123763533
N-(1-cyclopropylideneethyl)but-3-en-2-imine
CID 123957758
N-[(Z)-4,4-dimethylpent-2-en-3-yl]but-3-en-2-imine
CID 131966137
N-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]penta-1,4-dien-3-imine
CID 134195862
N-(2,4-dimethylpenta-1,3-dien-3-yl)but-3-en-2-imine
CID 134422553

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The IUPAC name of ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine (CID 145365393) is ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine.
What is the SMILES notation for ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The canonical SMILES for ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine is C=C/C(C)=N/C(C)=C(C)C.CC.
What is the InChIKey of ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
The InChIKey is ACYYFZZMIVTORW-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-6-8(4)10-9(5)7(2)3;1-2/h6H,1H2,2-5H3;1-2H3/b10-8+;.
What are the key properties of ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine?
ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylbut-2-en-2-yl)but-3-en-2-imine is sourced from PubChem (CID 145365393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).