(6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine

C15H29NO3 — CID 58241255

IUPAC(6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine
SMILESCCCN(CCC)C1C=CC(OC)C(OC)[C@@H]1OC
InChIInChI=1S/C15H29NO3/c1-6-10-16(11-7-2)12-8-9-13(17-3)15(19-5)14(12)18-4/h8-9,12-15H,6-7,10-11H2,1-5H3/t12?,13?,14-,15?/m1/s1
InChIKeyZGAMRLBOMCVAIY-MIGSVPMKSA-N
MW271.40 g/mol
LogP2.09
Rot. Bonds8

About (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine

(6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine (PubChem CID 58241255) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name(6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine
PubChem CID58241255
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine
SMILESCCCN(CCC)C1C=CC(OC)C(OC)[C@@H]1OC
InChIInChI=1S/C15H29NO3/c1-6-10-16(11-7-2)12-8-9-13(17-3)15(19-5)14(12)18-4/h8-9,12-15H,6-7,10-11H2,1-5H3/t12?,13?,14-,15?/m1/s1
InChIKeyZGAMRLBOMCVAIY-MIGSVPMKSA-N
XLogP2.09
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine?
The IUPAC name of (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine (CID 58241255) is (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine.
What is the SMILES notation for (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine?
The canonical SMILES for (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine is CCCN(CCC)C1C=CC(OC)C(OC)[C@@H]1OC.
What is the InChIKey of (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine?
The InChIKey is ZGAMRLBOMCVAIY-MIGSVPMKSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-10-16(11-7-2)12-8-9-13(17-3)15(19-5)14(12)18-4/h8-9,12-15H,6-7,10-11H2,1-5H3/t12?,13?,14-,15?/m1/s1.
What are the key properties of (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine?
(6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine has a molecular weight of 271.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4,5,6-trimethoxy-N,N-dipropylcyclohex-2-en-1-amine is sourced from PubChem (CID 58241255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).