2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine

C13H25NO — CID 83044283

IUPAC2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCCCC(CN)OCC1CC=CCC1C
InChIInChI=1S/C13H25NO/c1-3-6-13(9-14)15-10-12-8-5-4-7-11(12)2/h4-5,11-13H,3,6-10,14H2,1-2H3
InChIKeyDDRLHRCOHMMNBA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds6

About 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine

2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (PubChem CID 83044283) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
PubChem CID83044283
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCCCC(CN)OCC1CC=CCC1C
InChIInChI=1S/C13H25NO/c1-3-6-13(9-14)15-10-12-8-5-4-7-11(12)2/h4-5,11-13H,3,6-10,14H2,1-2H3
InChIKeyDDRLHRCOHMMNBA-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 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The IUPAC name of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (CID 83044283) is 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.
What is the SMILES notation for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The canonical SMILES for 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine is CCCC(CN)OCC1CC=CCC1C.
What is the InChIKey of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The InChIKey is DDRLHRCOHMMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-6-13(9-14)15-10-12-8-5-4-7-11(12)2/h4-5,11-13H,3,6-10,14H2,1-2H3.
What are the key properties of 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
2-[(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 2-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine is sourced from PubChem (CID 83044283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).