4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine

C12H23NO — CID 62455921

IUPAC4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
SMILESCC1CC=CCC1COCCCCN
InChIInChI=1S/C12H23NO/c1-11-6-2-3-7-12(11)10-14-9-5-4-8-13/h2-3,11-12H,4-10,13H2,1H3
InChIKeyBSLOVWAVQVZMLQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds6

About 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine

4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine (PubChem CID 62455921) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine.

Molecular Properties

Compound Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
PubChem CID62455921
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
SMILESCC1CC=CCC1COCCCCN
InChIInChI=1S/C12H23NO/c1-11-6-2-3-7-12(11)10-14-9-5-4-8-13/h2-3,11-12H,4-10,13H2,1H3
InChIKeyBSLOVWAVQVZMLQ-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
The IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine (CID 62455921) is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine.
What is the SMILES notation for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
The canonical SMILES for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine is CC1CC=CCC1COCCCCN.
What is the InChIKey of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
The InChIKey is BSLOVWAVQVZMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11-6-2-3-7-12(11)10-14-9-5-4-8-13/h2-3,11-12H,4-10,13H2,1H3.
What are the key properties of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine?
4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine is sourced from PubChem (CID 62455921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).