5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine

C13H25NO — CID 62455919

IUPAC5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCC1CC=CCC1COCCCCCN
InChIInChI=1S/C13H25NO/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,12-13H,2,5-11,14H2,1H3
InChIKeyPZCRIPXDLYYBFG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds7

About 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine

5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (PubChem CID 62455919) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
PubChem CID62455919
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCC1CC=CCC1COCCCCCN
InChIInChI=1S/C13H25NO/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,12-13H,2,5-11,14H2,1H3
InChIKeyPZCRIPXDLYYBFG-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.73
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 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The IUPAC name of 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (CID 62455919) is 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.
What is the SMILES notation for 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The canonical SMILES for 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine is CC1CC=CCC1COCCCCCN.
What is the InChIKey of 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The InChIKey is PZCRIPXDLYYBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12-7-3-4-8-13(12)11-15-10-6-2-5-9-14/h3-4,12-13H,2,5-11,14H2,1H3.
What are the key properties of 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine is sourced from PubChem (CID 62455919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).