6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine

C10H15N — CID 141054133

IUPAC6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C(C(C)C)=CC=CC1C
InChIInChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-8,11H,1-3H3/b11-10+
InChIKeyVFJLIZGWMGWQQC-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.79
Rot. Bonds1

About 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine

6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine (PubChem CID 141054133) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine
PubChem CID141054133
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1/C(C(C)C)=CC=CC1C
InChIInChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-8,11H,1-3H3/b11-10+
InChIKeyVFJLIZGWMGWQQC-ZHACJKMWSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine (CID 141054133) is 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine is [H]/N=C1/C(C(C)C)=CC=CC1C.
What is the InChIKey of 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is VFJLIZGWMGWQQC-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-8,11H,1-3H3/b11-10+.
What are the key properties of 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine?
6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141054133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).