(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine

C12H23N — CID 59179883

IUPAC(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine
SMILESCC(/C=C\C(C)(C)C)=N\C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(13-12(5,6)7)8-9-11(2,3)4/h8-9H,1-7H3/b9-8-,13-10+
InChIKeyYBOPSIGQSOFHBA-JQHRQWORSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds1

About (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine

(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine (PubChem CID 59179883) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine
PubChem CID59179883
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine
SMILESCC(/C=C\C(C)(C)C)=N\C(C)(C)C
InChIInChI=1S/C12H23N/c1-10(13-12(5,6)7)8-9-11(2,3)4/h8-9H,1-7H3/b9-8-,13-10+
InChIKeyYBOPSIGQSOFHBA-JQHRQWORSA-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

t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
(E)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 10464698
(Z)-N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 58765980
(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine
CID 59049750
(Z)-N-tert-butyl-3,5,5-trimethylhex-3-en-2-imine
CID 59179882
(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine
CID 59179929
N-tert-butylcyclohexa-2,5-dien-1-imine
CID 59775294
N-tert-butyl-4,4-dimethylpent-2-en-1-imine
CID 72416664
3,3,6-trimethyl-2H-pyridine
CID 89258256
(Z)-N-tert-butyl-4,4-dimethyl-1,2,3-tritritiopent-2-en-1-imine
CID 118606014
N-(2-methylbutan-2-yl)but-3-en-2-imine
CID 123145819
N-[(Z)-4,4-dimethylpent-2-en-3-yl]but-3-en-2-imine
CID 131966137

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine?
The IUPAC name of (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine (CID 59179883) is (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine.
What is the SMILES notation for (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine?
The canonical SMILES for (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine is CC(/C=C\C(C)(C)C)=N\C(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine?
The InChIKey is YBOPSIGQSOFHBA-JQHRQWORSA-N. The full InChI is InChI=1S/C12H23N/c1-10(13-12(5,6)7)8-9-11(2,3)4/h8-9H,1-7H3/b9-8-,13-10+.
What are the key properties of (Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine?
(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-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-5,5-dimethylhex-3-en-2-imine is sourced from PubChem (CID 59179883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).