3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine

C14H27NO — CID 62455166

IUPAC3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine
SMILESCCCNCCCOCC1CC=CCC1C
InChIInChI=1S/C14H27NO/c1-3-9-15-10-6-11-16-12-14-8-5-4-7-13(14)2/h4-5,13-15H,3,6-12H2,1-2H3
InChIKeyGBJMJFZYGUFJOF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds8

About 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine

3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine (PubChem CID 62455166) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine
PubChem CID62455166
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine
SMILESCCCNCCCOCC1CC=CCC1C
InChIInChI=1S/C14H27NO/c1-3-9-15-10-6-11-16-12-14-8-5-4-7-13(14)2/h4-5,13-15H,3,6-12H2,1-2H3
InChIKeyGBJMJFZYGUFJOF-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
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 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine?
The IUPAC name of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine (CID 62455166) is 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine?
The canonical SMILES for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine is CCCNCCCOCC1CC=CCC1C.
What is the InChIKey of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine?
The InChIKey is GBJMJFZYGUFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-9-15-10-6-11-16-12-14-8-5-4-7-13(14)2/h4-5,13-15H,3,6-12H2,1-2H3.
What are the key properties of 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine?
3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpropan-1-amine is sourced from PubChem (CID 62455166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).