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

C26H36N6O2 — CID 90993315

IUPAC8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
SMILESCC1(C)CCc2c(NC3CCCC3)nc3oc4c(NCCN5CCOCC5)ncnc4c3c2C1
InChIInChI=1S/C26H36N6O2/c1-26(2)8-7-18-19(15-26)20-21-22(34-25(20)31-23(18)30-17-5-3-4-6-17)24(29-16-28-21)27-9-10-32-11-13-33-14-12-32/h16-17H,3-15H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyNZDDLCNJYJDCEU-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.38
Rot. Bonds6

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

8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine (PubChem CID 90993315) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine.

Molecular Properties

Compound Name8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
PubChem CID90993315
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
SMILESCC1(C)CCc2c(NC3CCCC3)nc3oc4c(NCCN5CCOCC5)ncnc4c3c2C1
InChIInChI=1S/C26H36N6O2/c1-26(2)8-7-18-19(15-26)20-21-22(34-25(20)31-23(18)30-17-5-3-4-6-17)24(29-16-28-21)27-9-10-32-11-13-33-14-12-32/h16-17H,3-15H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyNZDDLCNJYJDCEU-UHFFFAOYSA-N
XLogP4.38
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4,4-dimethyl-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-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 56642417
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
N-cyclohexyl-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-4-amine
CID 69186801
8-ethyl-8-N,4,4-trimethyl-13-N-(2-morpholin-4-ylethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,9,12(17),13,15-pentaene-8,13-diamine
CID 151687325
7-N,4,4,7-tetramethyl-12-N-(2-morpholin-4-ylethyl)-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,8,11(16),12,14-pentaene-7,12-diamine
CID 150112400
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 779526
5-N-cycloheptyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945300
N-(2-methoxyethyl)-7-propan-2-yl-10-oxa-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
CID 2029950
4-[2-[[8-(furan-2-yl)-4,4-dimethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl]amino]ethyl]piperazine-1-carboxylic acid
CID 68894233
5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 58603257
N-(2-morpholin-4-ylethyl)-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 2004071
N-(2-morpholin-4-ylethyl)-8-pyrrolidin-1-yl-5-oxa-11-thia-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 11704860

Frequently Asked Questions

What is the IUPAC name of 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
The IUPAC name of 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine (CID 90993315) is 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine.
What is the SMILES notation for 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
The canonical SMILES for 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine is CC1(C)CCc2c(NC3CCCC3)nc3oc4c(NCCN5CCOCC5)ncnc4c3c2C1.
What is the InChIKey of 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
The InChIKey is NZDDLCNJYJDCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-26(2)8-7-18-19(15-26)20-21-22(34-25(20)31-23(18)30-17-5-3-4-6-17)24(29-16-28-21)27-9-10-32-11-13-33-14-12-32/h16-17H,3-15H2,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine?
8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine has a molecular weight of 464.61 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-cyclopentyl-4,4-dimethyl-13-N-(2-morpholin-4-ylethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine is sourced from PubChem (CID 90993315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).