N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine

C22H29N5O2 — CID 666678

IUPACN-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
SMILESCCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2
InChIInChI=1S/C22H29N5O2/c1-2-5-17-15-6-3-4-7-16(15)18-19-20(29-22(18)26-17)21(25-14-24-19)23-8-9-27-10-12-28-13-11-27/h14H,2-13H2,1H3,(H,23,24,25)
InChIKeyMRGGURLYJWBBBJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.35
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine

N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (PubChem CID 666678) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
PubChem CID666678
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
SMILESCCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2
InChIInChI=1S/C22H29N5O2/c1-2-5-17-15-6-3-4-7-16(15)18-19-20(29-22(18)26-17)21(25-14-24-19)23-8-9-27-10-12-28-13-11-27/h14H,2-13H2,1H3,(H,23,24,25)
InChIKeyMRGGURLYJWBBBJ-UHFFFAOYSA-N
XLogP3.35
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine (CID 666678) is N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine is CCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
The InChIKey is MRGGURLYJWBBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-2-5-17-15-6-3-4-7-16(15)18-19-20(29-22(18)26-17)21(25-14-24-19)23-8-9-27-10-12-28-13-11-27/h14H,2-13H2,1H3,(H,23,24,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine?
N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine has a molecular weight of 395.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-8-propyl-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine is sourced from PubChem (CID 666678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).