13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine

C21H27NO3 — CID 142005929

IUPAC13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine
SMILESCCCNc1ccc2c(c1)CCCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C21H27NO3/c1-5-11-22-16-9-10-17-14(12-16)7-6-8-15-13-18(23-2)20(24-3)21(25-4)19(15)17/h9-10,12-13,22H,5-8,11H2,1-4H3
InChIKeyDUDMSBGNNDYIDD-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.69
Rot. Bonds6

About 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine

13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine (PubChem CID 142005929) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine.

Molecular Properties

Compound Name13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine
PubChem CID142005929
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine
SMILESCCCNc1ccc2c(c1)CCCc1cc(OC)c(OC)c(OC)c1-2
InChIInChI=1S/C21H27NO3/c1-5-11-22-16-9-10-17-14(12-16)7-6-8-15-13-18(23-2)20(24-3)21(25-4)19(15)17/h9-10,12-13,22H,5-8,11H2,1-4H3
InChIKeyDUDMSBGNNDYIDD-UHFFFAOYSA-N
XLogP4.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 364716
CID 364716
CID 15696370
CID 15696370
CID 373798
CID 373798
CID 373800
CID 373800
CID 364705
CID 364705
CID 372855
CID 372855
CID 373799
CID 373799
CID 373801
CID 373801
CID 373806
CID 373806
CID 3858898
CID 3858898
CID 15696371
CID 15696371
CID 15696379
CID 15696379

Frequently Asked Questions

What is the IUPAC name of 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?
The IUPAC name of 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine (CID 142005929) is 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine.
What is the SMILES notation for 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?
The canonical SMILES for 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine is CCCNc1ccc2c(c1)CCCc1cc(OC)c(OC)c(OC)c1-2.
What is the InChIKey of 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?
The InChIKey is DUDMSBGNNDYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-11-22-16-9-10-17-14(12-16)7-6-8-15-13-18(23-2)20(24-3)21(25-4)19(15)17/h9-10,12-13,22H,5-8,11H2,1-4H3.
What are the key properties of 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine?
13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine has a molecular weight of 341.45 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14,15-trimethoxy-N-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-amine is sourced from PubChem (CID 142005929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).