8-methyl-4a,7-dihydro-4H-naphthalen-1-imine

C11H13N — CID 123327530

IUPAC8-methyl-4a,7-dihydro-4H-naphthalen-1-imine
SMILES[H]/N=C1\C=CCC2C=CCC(C)=C12
InChIInChI=1S/C11H13N/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-3,5,7,9,12H,4,6H2,1H3/b12-10+
InChIKeyIETUNLKOJFLJBK-ZRDIBKRKSA-N
MW159.23 g/mol
LogP2.86
Rot. Bonds

About 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine

8-methyl-4a,7-dihydro-4H-naphthalen-1-imine (PubChem CID 123327530) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine.

Molecular Properties

Compound Name8-methyl-4a,7-dihydro-4H-naphthalen-1-imine
PubChem CID123327530
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name8-methyl-4a,7-dihydro-4H-naphthalen-1-imine
SMILES[H]/N=C1\C=CCC2C=CCC(C)=C12
InChIInChI=1S/C11H13N/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-3,5,7,9,12H,4,6H2,1H3/b12-10+
InChIKeyIETUNLKOJFLJBK-ZRDIBKRKSA-N
XLogP2.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
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

1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
6-Fluoro-4-methylcyclohex-2-en-1-imine
CID 91163671
1-Cyclohexyl-imino-2-butene
CID 129765474
3,5,5-Trimethyl-2-cyclohexen-1-imine
CID 12562470
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
CID 22022783
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
4-(2-Methylidenebutyl)cyclohexa-2,5-dien-1-imine
CID 60131096
2,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 66847916
2-Butan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69931975
2-(2-Methylpropyl)cyclohexa-2,5-diene-1,4-diimine
CID 69932960

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine?
The IUPAC name of 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine (CID 123327530) is 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine.
What is the SMILES notation for 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine?
The canonical SMILES for 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine is [H]/N=C1\C=CCC2C=CCC(C)=C12.
What is the InChIKey of 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine?
The InChIKey is IETUNLKOJFLJBK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13N/c1-8-4-2-5-9-6-3-7-10(12)11(8)9/h2-3,5,7,9,12H,4,6H2,1H3/b12-10+.
What are the key properties of 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine?
8-methyl-4a,7-dihydro-4H-naphthalen-1-imine has a molecular weight of 159.23 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4a,7-dihydro-4H-naphthalen-1-imine is sourced from PubChem (CID 123327530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).