N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine

C22H35N — CID 59318269

IUPACN-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine
SMILESCC(C)=CCC(C)(C)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H35N/c1-15(2)13-14-22(8,9)18(7)23-21-19(16(3)4)11-10-12-20(21)17(5)6/h10-13,16-17H,14H2,1-9H3/b23-18+
InChIKeySWYXSHMZTIMUQN-PTGBLXJZSA-N
MW313.53 g/mol
LogP7.41
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine

N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine (PubChem CID 59318269) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine
PubChem CID59318269
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine
SMILESCC(C)=CCC(C)(C)/C(C)=N/c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H35N/c1-15(2)13-14-22(8,9)18(7)23-21-19(16(3)4)11-10-12-20(21)17(5)6/h10-13,16-17H,14H2,1-9H3/b23-18+
InChIKeySWYXSHMZTIMUQN-PTGBLXJZSA-N
XLogP7.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 57.41
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-[3-[2,6-di(propan-2-yl)phenyl]imino-2-methylbutan-2-yl]-2,6-di(propan-2-yl)aniline
CID 20771836
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);(Z)-but-2-ene-2,3-diolate;nickel
CID 139170937
CID 139137651
CID 139137651
N-[4-[2,6-di(propan-2-yl)phenyl]iminopent-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 139113697
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
bis((Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-olate);titanium(4+);sulfide
CID 139130538
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine (CID 59318269) is N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine is CC(C)=CCC(C)(C)/C(C)=N/c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine?
The InChIKey is SWYXSHMZTIMUQN-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H35N/c1-15(2)13-14-22(8,9)18(7)23-21-19(16(3)4)11-10-12-20(21)17(5)6/h10-13,16-17H,14H2,1-9H3/b23-18+.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine?
N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine has a molecular weight of 313.53 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3,3,6-trimethylhept-5-en-2-imine is sourced from PubChem (CID 59318269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).