N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine

C11H19N — CID 134253328

IUPACN-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C=C(\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(3)12-8-9(2)11(4,5)6/h7-8H,1H2,2-6H3/b9-8+,12-10+
InChIKeyWBMITGSIGJTYEM-CDKJVOIVSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds2

About N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine

N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine (PubChem CID 134253328) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
PubChem CID134253328
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine
SMILESC=C/C(C)=N/C=C(\C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(3)12-8-9(2)11(4,5)6/h7-8H,1H2,2-6H3/b9-8+,12-10+
InChIKeyWBMITGSIGJTYEM-CDKJVOIVSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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-(but-3-en-2-ylideneamino)ethene-1,1-diamine
CID 126596280
2-(but-3-en-2-ylideneamino)ethenamine
CID 146739321
(3Z,4E)-3-ethylidene-5,6,6-trimethylhepta-1,4-diene
CID 153392507
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
(E)-N-ethenyl-3,4,4-trimethylpent-2-en-1-imine
CID 166788364
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
N-[(E)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]prop-1-enyl]but-3-en-2-imine
CID 88944973
2,2-dimethylpropanoic acid;prop-2-enoic acid
CID 88656753
3-N,4-N-bis(ethenyl)-2,2,5,5-tetramethylhexane-3,4-diimine
CID 146577227
(E)-N-methoxybut-3-en-2-imine
CID 142905738
N-(but-3-en-2-ylideneamino)-N-methylmethanamine
CID 535821
3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 174243879

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine?
The IUPAC name of N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine (CID 134253328) is N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine.
What is the SMILES notation for N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine?
The canonical SMILES for N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine is C=C/C(C)=N/C=C(\C)C(C)(C)C.
What is the InChIKey of N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine?
The InChIKey is WBMITGSIGJTYEM-CDKJVOIVSA-N. The full InChI is InChI=1S/C11H19N/c1-7-10(3)12-8-9(2)11(4,5)6/h7-8H,1H2,2-6H3/b9-8+,12-10+.
What are the key properties of N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine?
N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3,3-trimethylbut-1-enyl]but-3-en-2-imine is sourced from PubChem (CID 134253328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).