N-tert-butyl-2-methylprop-2-en-1-imine

C8H15N — CID 10511180

IUPACN-tert-butyl-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/C(C)(C)C
InChIInChI=1S/C8H15N/c1-7(2)6-9-8(3,4)5/h6H,1H2,2-5H3/b9-6+
InChIKeyMBIFZZAEUJHNQA-RMKNXTFCSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds1

About N-tert-butyl-2-methylprop-2-en-1-imine

N-tert-butyl-2-methylprop-2-en-1-imine (PubChem CID 10511180) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-tert-butyl-2-methylprop-2-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2-methylprop-2-en-1-imine
PubChem CID10511180
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-tert-butyl-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N/C(C)(C)C
InChIInChI=1S/C8H15N/c1-7(2)6-9-8(3,4)5/h6H,1H2,2-5H3/b9-6+
InChIKeyMBIFZZAEUJHNQA-RMKNXTFCSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
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

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1-tert-butylimino-3,3-dimethylbutan-2-one
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2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
CID 89323000
(E)-N-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-en-1-imine
CID 10856483
N-(2-methylprop-2-enylideneamino)methanamine
CID 76750151
(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
CID 10702956
N'-ethenyl-N-(2-methylprop-2-enylidene)methanimidamide
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(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid
CID 156561221
ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine
CID 144896047
(3E)-2,5-dimethylhexa-3,5-dien-2-ol
CID 12625790
N-[(Z)-2-methylprop-2-enylideneamino]ethanamine
CID 118153029

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylprop-2-en-1-imine?
The IUPAC name of N-tert-butyl-2-methylprop-2-en-1-imine (CID 10511180) is N-tert-butyl-2-methylprop-2-en-1-imine.
What is the SMILES notation for N-tert-butyl-2-methylprop-2-en-1-imine?
The canonical SMILES for N-tert-butyl-2-methylprop-2-en-1-imine is C=C(C)/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylprop-2-en-1-imine?
The InChIKey is MBIFZZAEUJHNQA-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15N/c1-7(2)6-9-8(3,4)5/h6H,1H2,2-5H3/b9-6+.
What are the key properties of N-tert-butyl-2-methylprop-2-en-1-imine?
N-tert-butyl-2-methylprop-2-en-1-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylprop-2-en-1-imine is sourced from PubChem (CID 10511180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).