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

C10H15NO — CID 141033733

IUPAC6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC(C)C)=CC1C
InChIInChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-8,11H,1-3H3/b11-10+
InChIKeyQWEHBVLXNSWFFT-ZHACJKMWSA-N
MW165.24 g/mol
LogP2.52
Rot. Bonds2

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

6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine (PubChem CID 141033733) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine
PubChem CID141033733
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(OC(C)C)=CC1C
InChIInChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-8,11H,1-3H3/b11-10+
InChIKeyQWEHBVLXNSWFFT-ZHACJKMWSA-N
XLogP2.52
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine (CID 141033733) is 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(OC(C)C)=CC1C.
What is the InChIKey of 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
The InChIKey is QWEHBVLXNSWFFT-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-8,11H,1-3H3/b11-10+.
What are the key properties of 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine?
6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yloxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141033733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).