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

C18H22N4O2 — CID 2029950

IUPACN-(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
SMILESCOCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CCC3
InChIInChI=1S/C18H22N4O2/c1-10(2)14-12-6-4-5-11(12)13-15-16(24-18(13)22-14)17(21-9-20-15)19-7-8-23-3/h9-10H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyCXUPGLUHSLQASA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.44
Rot. Bonds5

About 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

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 (PubChem CID 2029950) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID2029950
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(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
SMILESCOCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CCC3
InChIInChI=1S/C18H22N4O2/c1-10(2)14-12-6-4-5-11(12)13-15-16(24-18(13)22-14)17(21-9-20-15)19-7-8-23-3/h9-10H,4-8H2,1-3H3,(H,19,20,21)
InChIKeyCXUPGLUHSLQASA-UHFFFAOYSA-N
XLogP3.44
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

2-[(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-yl)amino]ethylazanium
CID 2038152
1-[[8-(2-methylpropyl)-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-yl]amino]propan-2-ol
CID 4890457
2-[2-[(7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethoxy]ethanol
CID 2037210
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
1-[(7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]propan-2-ol
CID 3967595
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-[[(2R)-oxolan-2-yl]methyl]-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 1393221
1-amino-5-propan-2-yl-6,7,8,9-tetrahydrofuro[2,3-c]isoquinoline-2-carbohydrazide
CID 139267119
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
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
1-[2-hydroxypropyl-[7-(2-methylpropyl)-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-yl]amino]propan-2-ol
CID 4896833
N-(2-methoxyethyl)-N'-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83030077

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CCC3.
What is the InChIKey of 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?
The InChIKey is CXUPGLUHSLQASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-10(2)14-12-6-4-5-11(12)13-15-16(24-18(13)22-14)17(21-9-20-15)19-7-8-23-3/h9-10H,4-8H2,1-3H3,(H,19,20,21).
What are the key properties of 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?
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 has a molecular weight of 326.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 2029950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).