3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane

C17H30N2 — CID 142081744

IUPAC3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane
SMILESC/N=C1/C(C(C)(C)C)=CC=C(C(C)C)/C1=N\C.CC
InChIInChI=1S/C15H24N2.C2H6/c1-10(2)11-8-9-12(15(3,4)5)14(17-7)13(11)16-6;1-2/h8-10H,1-7H3;1-2H3/b16-13+,17-14-;
InChIKeyJARVFUKQEDDUOR-WZOXMJQNSA-N
MW262.44 g/mol
LogP4.72
Rot. Bonds1

About 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane

3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane (PubChem CID 142081744) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane.

Molecular Properties

Compound Name3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane
PubChem CID142081744
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane
SMILESC/N=C1/C(C(C)(C)C)=CC=C(C(C)C)/C1=N\C.CC
InChIInChI=1S/C15H24N2.C2H6/c1-10(2)11-8-9-12(15(3,4)5)14(17-7)13(11)16-6;1-2/h8-10H,1-7H3;1-2H3/b16-13+,17-14-;
InChIKeyJARVFUKQEDDUOR-WZOXMJQNSA-N
XLogP4.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N,4,5-tetramethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762103
1-N,2-N,4-trimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762104
1-N,2-N-dimethyl-3,6-bis[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 20762105
4-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58157732
1-N,2-N,4-trimethyl-3,6-bis(5-methylhexa-2,4-dien-2-yl)cyclohexa-3,5-diene-1,2-diimine
CID 73705277
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 87085215
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88553588
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556051
3-[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethyl-6-[(E,4E)-4-(3-methylbutan-2-ylidene)dec-2-en-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88556143
3-[(E,4E)-4-(3,3-dimethylbutan-2-ylidene)dec-2-en-2-yl]-6-[(E,4E)-4-(3,3-dimethylpentan-2-ylidene)dec-2-en-2-yl]-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 88556771
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88673397
1-N,2-N,4,5-tetramethyl-3-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89001106

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane?
The IUPAC name of 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane (CID 142081744) is 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane.
What is the SMILES notation for 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane?
The canonical SMILES for 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane is C/N=C1/C(C(C)(C)C)=CC=C(C(C)C)/C1=N\C.CC.
What is the InChIKey of 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane?
The InChIKey is JARVFUKQEDDUOR-WZOXMJQNSA-N. The full InChI is InChI=1S/C15H24N2.C2H6/c1-10(2)11-8-9-12(15(3,4)5)14(17-7)13(11)16-6;1-2/h8-10H,1-7H3;1-2H3/b16-13+,17-14-;.
What are the key properties of 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane?
3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane has a molecular weight of 262.44 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane is sourced from PubChem (CID 142081744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).