2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine

C11H20N2 — CID 167270420

IUPAC2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine
SMILESC=C(CC)/N=C(C)/C=N/C(C)(C)C
InChIInChI=1S/C11H20N2/c1-7-9(2)13-10(3)8-12-11(4,5)6/h8H,2,7H2,1,3-6H3/b12-8+,13-10+
InChIKeyBUIJGVRGQNWMJF-SDCOAONHSA-N
MW180.29 g/mol
LogP3.24
Rot. Bonds3

About 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine

2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine (PubChem CID 167270420) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine.

Molecular Properties

Compound Name2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine
PubChem CID167270420
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine
SMILESC=C(CC)/N=C(C)/C=N/C(C)(C)C
InChIInChI=1S/C11H20N2/c1-7-9(2)13-10(3)8-12-11(4,5)6/h8H,2,7H2,1,3-6H3/b12-8+,13-10+
InChIKeyBUIJGVRGQNWMJF-SDCOAONHSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
(E)-4-bromo-N-but-1-en-2-ylpent-3-en-2-imine
CID 118449989
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
CID 59179886
methyl N-but-1-en-2-ylethanimidate
CID 177320035
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
CID 10702956
CID 171553995
CID 171553995
(Z)-N-(3,3-dimethylbut-1-en-2-yloxy)butan-2-imine
CID 143053134
N-[(Z)-but-2-en-2-yl]butan-2-imine
CID 12603157
(Z)-N-but-1-en-2-yl-4-methylnon-7-en-3-imine
CID 135199240
methane;bis(2-methylbut-1-ene)
CID 160529780
3-methylidenepentane;hydrate
CID 162329688

Frequently Asked Questions

What is the IUPAC name of 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine?
The IUPAC name of 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine (CID 167270420) is 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine.
What is the SMILES notation for 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine?
The canonical SMILES for 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine is C=C(CC)/N=C(C)/C=N/C(C)(C)C.
What is the InChIKey of 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine?
The InChIKey is BUIJGVRGQNWMJF-SDCOAONHSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-9(2)13-10(3)8-12-11(4,5)6/h8H,2,7H2,1,3-6H3/b12-8+,13-10+.
What are the key properties of 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine?
2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine has a molecular weight of 180.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine is sourced from PubChem (CID 167270420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).