N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine

C11H21N — CID 126570524

IUPACN-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine
SMILESC/C(=C\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-8(2)10(5)7-12-11(6)9(3)4/h7-9H,1-6H3/b10-7+,12-11+
InChIKeyMHHGTFQDMIOMSM-OFJXCKHESA-N
MW167.30 g/mol
LogP3.66
Rot. Bonds3

About N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine

N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine (PubChem CID 126570524) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine
PubChem CID126570524
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine
SMILESC/C(=C\N=C(/C)C(C)C)C(C)C
InChIInChI=1S/C11H21N/c1-8(2)10(5)7-12-11(6)9(3)4/h7-9H,1-6H3/b10-7+,12-11+
InChIKeyMHHGTFQDMIOMSM-OFJXCKHESA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.66
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

3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine
CID 145484252
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
CID 168972313
N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine
CID 170732055
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
3-methyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 57823839
4-methyl-2-propan-2-yl-3H-pyrrole
CID 60081030
2-methyl-N-(2-methylprop-1-enyl)pent-1-en-3-imine
CID 89034155
N-[(E)-2-methylbut-1-enyl]butan-2-imine
CID 89324556
N-[(E)-2,4,4-trimethylpent-1-enyl]butan-2-imine
CID 89324734

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine?
The IUPAC name of N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine (CID 126570524) is N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine?
The canonical SMILES for N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine is C/C(=C\N=C(/C)C(C)C)C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine?
The InChIKey is MHHGTFQDMIOMSM-OFJXCKHESA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10(5)7-12-11(6)9(3)4/h7-9H,1-6H3/b10-7+,12-11+.
What are the key properties of N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine?
N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine is sourced from PubChem (CID 126570524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).