(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine

C12H23N — CID 59179886

IUPAC(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
SMILESCC(=C/C(C)(C)C)/C=N/C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(8-11(2,3)4)9-13-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+
InChIKeyFXINKVWAYBDQIM-KKCPJAHZSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds1

About (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine

(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine (PubChem CID 59179886) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
PubChem CID59179886
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine
SMILESCC(=C/C(C)(C)C)/C=N/C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(8-11(2,3)4)9-13-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+
InChIKeyFXINKVWAYBDQIM-KKCPJAHZSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
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-tert-butyl-2-methylprop-2-en-1-imine
CID 10511180
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
2-N-but-1-en-2-yl-1-N-tert-butylpropane-1,2-diimine
CID 167270420
1-tert-butylimino-3,3-dimethylbutan-2-one
CID 86729170
4,6,6-trimethylhepta-2,4-dienylidenevanadium
CID 149391182
(Z)-2,2,3,5,5-pentamethylhex-3-ene
CID 22966710
(Z)-N-tert-butyl-2,4-dichlorobut-2-en-1-imine
CID 10702956
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
propan-2-yl 2-tert-butyliminoacetate
CID 101067356
(2E)-3-tert-butylimino-2-hydrazinylidenepropanoic acid
CID 156561221
(E)-2,2,4-trimethylhex-3-ene
CID 5365974
(E)-2-azido-4,4-dimethylpent-2-ene
CID 134986194

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine?
The IUPAC name of (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine (CID 59179886) is (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine.
What is the SMILES notation for (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine?
The canonical SMILES for (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine is CC(=C/C(C)(C)C)/C=N/C(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine?
The InChIKey is FXINKVWAYBDQIM-KKCPJAHZSA-N. The full InChI is InChI=1S/C12H23N/c1-10(8-11(2,3)4)9-13-12(5,6)7/h8-9H,1-7H3/b10-8-,13-9+.
What are the key properties of (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine?
(Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2,4,4-trimethylpent-2-en-1-imine is sourced from PubChem (CID 59179886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).