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

C13H25NO — CID 62455553

IUPAC4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCC(CCCN)OCC1CC=CCC1C
InChIInChI=1S/C13H25NO/c1-11-6-3-4-8-13(11)10-15-12(2)7-5-9-14/h3-4,11-13H,5-10,14H2,1-2H3
InChIKeyAEZDPRLDRRKTBR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds6

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

4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (PubChem CID 62455553) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
PubChem CID62455553
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCC(CCCN)OCC1CC=CCC1C
InChIInChI=1S/C13H25NO/c1-11-6-3-4-8-13(11)10-15-12(2)7-5-9-14/h3-4,11-13H,5-10,14H2,1-2H3
InChIKeyAEZDPRLDRRKTBR-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': '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]pentan-1-amine?
The IUPAC name of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (CID 62455553) is 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.
What is the SMILES notation for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The canonical SMILES for 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine is CC(CCCN)OCC1CC=CCC1C.
What is the InChIKey of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The InChIKey is AEZDPRLDRRKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-6-3-4-8-13(11)10-15-12(2)7-5-9-14/h3-4,11-13H,5-10,14H2,1-2H3.
What are the key properties of 4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 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]pentan-1-amine is sourced from PubChem (CID 62455553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).