2-tert-butylcyclohexa-2,4-dien-1-imine

C10H15N — CID 18786242

IUPAC2-tert-butylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\CC=CC=C1C(C)(C)C
InChIInChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-6,11H,7H2,1-3H3/b11-9+
InChIKeyPOGGLZFFXIQKBJ-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.94
Rot. Bonds

About 2-tert-butylcyclohexa-2,4-dien-1-imine

2-tert-butylcyclohexa-2,4-dien-1-imine (PubChem CID 18786242) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-tert-butylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name2-tert-butylcyclohexa-2,4-dien-1-imine
PubChem CID18786242
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-tert-butylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\CC=CC=C1C(C)(C)C
InChIInChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-6,11H,7H2,1-3H3/b11-9+
InChIKeyPOGGLZFFXIQKBJ-PKNBQFBNSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(6E,8Z)-7-fluoro-2,2,8-trimethylundeca-6,8-dien-4-imine
CID 169927594
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
5-Methylcyclohexa-2,4-dien-1-imine
CID 14398591
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
2,5-Dimethylcyclohexa-2,4-dien-1-imine
CID 23530554
2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
(2,2-Dimethyl-1-phenylpropylidene)azanide;tungsten(2+)
CID 57540248
4-(2-Methylidenebutyl)cyclohexa-2,5-dien-1-imine
CID 60131096

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 2-tert-butylcyclohexa-2,4-dien-1-imine (CID 18786242) is 2-tert-butylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 2-tert-butylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 2-tert-butylcyclohexa-2,4-dien-1-imine is [H]/N=C1\CC=CC=C1C(C)(C)C.
What is the InChIKey of 2-tert-butylcyclohexa-2,4-dien-1-imine?
The InChIKey is POGGLZFFXIQKBJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-6,11H,7H2,1-3H3/b11-9+.
What are the key properties of 2-tert-butylcyclohexa-2,4-dien-1-imine?
2-tert-butylcyclohexa-2,4-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 18786242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).