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

C11H23N — CID 145022112

IUPACethane;N-(3-methylbut-2-en-2-yl)butan-2-imine
SMILESCC.CC/C(C)=N/C(C)=C(C)C
InChIInChI=1S/C9H17N.C2H6/c1-6-8(4)10-9(5)7(2)3;1-2/h6H2,1-5H3;1-2H3/b10-8+;
InChIKeyMSQFDAKBGSTRHK-VRTOBVRTSA-N
MW169.31 g/mol
LogP4.20
Rot. Bonds2

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

ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine (PubChem CID 145022112) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine.

Molecular Properties

Compound Nameethane;N-(3-methylbut-2-en-2-yl)butan-2-imine
PubChem CID145022112
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;N-(3-methylbut-2-en-2-yl)butan-2-imine
SMILESCC.CC/C(C)=N/C(C)=C(C)C
InChIInChI=1S/C9H17N.C2H6/c1-6-8(4)10-9(5)7(2)3;1-2/h6H2,1-5H3;1-2H3/b10-8+;
InChIKeyMSQFDAKBGSTRHK-VRTOBVRTSA-N
XLogP4.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.20
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-(3-methylbut-2-en-2-yl)propan-2-imine
CID 20708749
N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 59921687
3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 89150851
3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine
CID 89467579
3-N-(3-methylbut-2-en-2-yl)butane-2,3-diimine
CID 89467581
3-methyl-N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 91177005
N-(3-methylpent-2-en-2-yl)butan-2-imine
CID 123767604
(NE)-N-[3-(3-methylbut-2-en-2-ylimino)butan-2-ylidene]hydroxylamine
CID 136508231
ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
CID 143677129
ethane;3-methyl-N-(3-methylbut-2-en-2-yl)but-3-en-2-imine
CID 155721531
3,3-dimethyl-N-(3-methylbut-2-en-2-yl)butan-2-imine
CID 156477155
4-methyl-N-(3-methylbut-2-en-2-yl)pentan-2-imine
CID 156516505

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine?
The IUPAC name of ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine (CID 145022112) is ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine.
What is the SMILES notation for ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine?
The canonical SMILES for ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine is CC.CC/C(C)=N/C(C)=C(C)C.
What is the InChIKey of ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine?
The InChIKey is MSQFDAKBGSTRHK-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-6-8(4)10-9(5)7(2)3;1-2/h6H2,1-5H3;1-2H3/b10-8+;.
What are the key properties of ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine?
ethane;N-(3-methylbut-2-en-2-yl)butan-2-imine has a molecular weight of 169.31 g/mol, XLogP of 4.20, 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)butan-2-imine is sourced from PubChem (CID 145022112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).