5-methoxy-N,N-dipropylcyclohex-3-en-1-amine

C13H25NO — CID 173400488

IUPAC5-methoxy-N,N-dipropylcyclohex-3-en-1-amine
SMILESCCCN(CCC)C1CC=CC(OC)C1
InChIInChI=1S/C13H25NO/c1-4-9-14(10-5-2)12-7-6-8-13(11-12)15-3/h6,8,12-13H,4-5,7,9-11H2,1-3H3
InChIKeyXFQOGHPBJVNFFG-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.84
Rot. Bonds6

About 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine

5-methoxy-N,N-dipropylcyclohex-3-en-1-amine (PubChem CID 173400488) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name5-methoxy-N,N-dipropylcyclohex-3-en-1-amine
PubChem CID173400488
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-methoxy-N,N-dipropylcyclohex-3-en-1-amine
SMILESCCCN(CCC)C1CC=CC(OC)C1
InChIInChI=1S/C13H25NO/c1-4-9-14(10-5-2)12-7-6-8-13(11-12)15-3/h6,8,12-13H,4-5,7,9-11H2,1-3H3
InChIKeyXFQOGHPBJVNFFG-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
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 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine?
The IUPAC name of 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine (CID 173400488) is 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine.
What is the SMILES notation for 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine?
The canonical SMILES for 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine is CCCN(CCC)C1CC=CC(OC)C1.
What is the InChIKey of 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine?
The InChIKey is XFQOGHPBJVNFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-9-14(10-5-2)12-7-6-8-13(11-12)15-3/h6,8,12-13H,4-5,7,9-11H2,1-3H3.
What are the key properties of 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine?
5-methoxy-N,N-dipropylcyclohex-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,N-dipropylcyclohex-3-en-1-amine is sourced from PubChem (CID 173400488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).