N-tert-butyl-2,2-dimethylhex-5-en-1-imine

C12H23N — CID 121013716

IUPACN-tert-butyl-2,2-dimethylhex-5-en-1-imine
SMILESC=CCCC(C)(C)/C=N/C(C)(C)C
InChIInChI=1S/C12H23N/c1-7-8-9-12(5,6)10-13-11(2,3)4/h7,10H,1,8-9H2,2-6H3/b13-10+
InChIKeyMWGSKABKWKMUHT-JLHYYAGUSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds4

About N-tert-butyl-2,2-dimethylhex-5-en-1-imine

N-tert-butyl-2,2-dimethylhex-5-en-1-imine (PubChem CID 121013716) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylhex-5-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylhex-5-en-1-imine
PubChem CID121013716
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-tert-butyl-2,2-dimethylhex-5-en-1-imine
SMILESC=CCCC(C)(C)/C=N/C(C)(C)C
InChIInChI=1S/C12H23N/c1-7-8-9-12(5,6)10-13-11(2,3)4/h7,10H,1,8-9H2,2-6H3/b13-10+
InChIKeyMWGSKABKWKMUHT-JLHYYAGUSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2,2-dimethylpent-4-en-1-imine
CID 10855875
2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine
CID 12064035
N-tert-butyl-1-(1-prop-2-enylcyclohexyl)methanimine
CID 11745832
(4Z,8Z)-2-ethyl-11,11-dimethyl-1-azacyclododeca-4,8,12-triene
CID 20405351
(4Z,8Z)-2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
CID 20436152
(4E,8E)-2-ethyl-11,11-dimethyl-1-azacyclododeca-4,8,12-triene
CID 22811539
(4E,8E)-2,2,11,11-tetramethyl-1-azacyclododeca-4,8,12-triene
CID 22815073
Allyl-(2,2-dimethyl-pent-4-enylidene)-amine
CID 22928390
3,3-Dimethyl-12-ethyl-1-aza-1,5,9-cyclododecatriene
CID 53743254
3,3,12,12-Tetramethyl-1-aza-1,5,9-cyclododecatriene
CID 54325297
N,2,2-trimethylpent-4-en-1-imine
CID 85819101
N-tert-butylpent-4-en-1-imine
CID 87184236

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethylhex-5-en-1-imine?
The IUPAC name of N-tert-butyl-2,2-dimethylhex-5-en-1-imine (CID 121013716) is N-tert-butyl-2,2-dimethylhex-5-en-1-imine.
What is the SMILES notation for N-tert-butyl-2,2-dimethylhex-5-en-1-imine?
The canonical SMILES for N-tert-butyl-2,2-dimethylhex-5-en-1-imine is C=CCCC(C)(C)/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethylhex-5-en-1-imine?
The InChIKey is MWGSKABKWKMUHT-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23N/c1-7-8-9-12(5,6)10-13-11(2,3)4/h7,10H,1,8-9H2,2-6H3/b13-10+.
What are the key properties of N-tert-butyl-2,2-dimethylhex-5-en-1-imine?
N-tert-butyl-2,2-dimethylhex-5-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylhex-5-en-1-imine is sourced from PubChem (CID 121013716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).