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

C15H29NO — CID 62455376

IUPACN-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCCNCCCCCOCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-3-16-11-7-4-8-12-17-13-15-10-6-5-9-14(15)2/h5-6,14-16H,3-4,7-13H2,1-2H3
InChIKeyOYBZVDYNINFPQB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.39
Rot. Bonds9

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

N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (PubChem CID 62455376) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
PubChem CID62455376
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine
SMILESCCNCCCCCOCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-3-16-11-7-4-8-12-17-13-15-10-6-5-9-14(15)2/h5-6,14-16H,3-4,7-13H2,1-2H3
InChIKeyOYBZVDYNINFPQB-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.39
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 N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The IUPAC name of N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine (CID 62455376) is N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine.
What is the SMILES notation for N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The canonical SMILES for N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine is CCNCCCCCOCC1CC=CCC1C.
What is the InChIKey of N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
The InChIKey is OYBZVDYNINFPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-16-11-7-4-8-12-17-13-15-10-6-5-9-14(15)2/h5-6,14-16H,3-4,7-13H2,1-2H3.
What are the key properties of N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine?
N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-1-amine is sourced from PubChem (CID 62455376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).