(10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine

C27H40N6O2 — CID 143861869

IUPAC(10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine
SMILESCC1=N/C(N)=N/c2ccc(N3CCOCC3)c(c2)CN2CCC(CC2)NCCO/C(C)=C\C=C\1C
InChIInChI=1S/C27H40N6O2/c1-20-4-5-21(2)35-15-10-29-24-8-11-32(12-9-24)19-23-18-25(31-27(28)30-22(20)3)6-7-26(23)33-13-16-34-17-14-33/h4-7,18,24,29H,8-17,19H2,1-3H3,(H2,28,31)/b20-4+,21-5+,30-22-
InChIKeyXUPQOFDTSVSZGL-UUXSIBCHSA-N
MW480.66 g/mol
LogP3.36
Rot. Bonds1

About (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine

(10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine (PubChem CID 143861869) has the molecular formula C27H40N6O2 and a molecular weight of 480.66 g/mol. Its IUPAC name is (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine.

Molecular Properties

Compound Name(10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine
PubChem CID143861869
Molecular FormulaC27H40N6O2
Molecular Weight480.66 g/mol
Exact Mass480.32
IUPAC Name(10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine
SMILESCC1=N/C(N)=N/c2ccc(N3CCOCC3)c(c2)CN2CCC(CC2)NCCO/C(C)=C\C=C\1C
InChIInChI=1S/C27H40N6O2/c1-20-4-5-21(2)35-15-10-29-24-8-11-32(12-9-24)19-23-18-25(31-27(28)30-22(20)3)6-7-26(23)33-13-16-34-17-14-33/h4-7,18,24,29H,8-17,19H2,1-3H3,(H2,28,31)/b20-4+,21-5+,30-22-
InChIKeyXUPQOFDTSVSZGL-UUXSIBCHSA-N
XLogP3.36
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine?
The IUPAC name of (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine (CID 143861869) is (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine.
What is the SMILES notation for (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine?
The canonical SMILES for (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine is CC1=N/C(N)=N/c2ccc(N3CCOCC3)c(c2)CN2CCC(CC2)NCCO/C(C)=C\C=C\1C.
What is the InChIKey of (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine?
The InChIKey is XUPQOFDTSVSZGL-UUXSIBCHSA-N. The full InChI is InChI=1S/C27H40N6O2/c1-20-4-5-21(2)35-15-10-29-24-8-11-32(12-9-24)19-23-18-25(31-27(28)30-22(20)3)6-7-26(23)33-13-16-34-17-14-33/h4-7,18,24,29H,8-17,19H2,1-3H3,(H2,28,31)/b20-4+,21-5+,30-22-.
What are the key properties of (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine?
(10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine has a molecular weight of 480.66 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,12E,14E)-11,12,15-trimethyl-4-morpholin-4-yl-16-oxa-1,8,10,19-tetrazatricyclo[18.2.2.13,7]pentacosa-3,5,7(25),8,10,12,14-heptaen-9-amine is sourced from PubChem (CID 143861869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).