2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate

C44H62N6O4Si — CID 159689317

IUPAC2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate
SMILESC=CCn1c2c(c3cc(N)ccc31)CN(C1CCOCC1)CC2.C=CCn1c2c(c3cc(NC(=O)OCC[Si](C)(C)C)ccc31)CN(C1CCOCC1)CC2
InChIInChI=1S/C25H37N3O3Si.C19H25N3O/c1-5-11-28-23-7-6-19(26-25(29)31-15-16-32(2,3)4)17-21(23)22-18-27(12-8-24(22)28)20-9-13-30-14-10-20;1-2-8-22-18-4-3-14(20)12-16(18)17-13-21(9-5-19(17)22)15-6-10-23-11-7-15/h5-7,17,20H,1,8-16,18H2,2-4H3,(H,26,29);2-4,12,15H,1,5-11,13,20H2
InChIKeyMWFBCIHUTUDWKU-UHFFFAOYSA-N
MW767.10 g/mol
LogP8.20
Rot. Bonds10

About 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate

2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate (PubChem CID 159689317) has the molecular formula C44H62N6O4Si and a molecular weight of 767.10 g/mol. Its IUPAC name is 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate.

Molecular Properties

Compound Name2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate
PubChem CID159689317
Molecular FormulaC44H62N6O4Si
Molecular Weight767.10 g/mol
Exact Mass766.46
IUPAC Name2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate
SMILESC=CCn1c2c(c3cc(N)ccc31)CN(C1CCOCC1)CC2.C=CCn1c2c(c3cc(NC(=O)OCC[Si](C)(C)C)ccc31)CN(C1CCOCC1)CC2
InChIInChI=1S/C25H37N3O3Si.C19H25N3O/c1-5-11-28-23-7-6-19(26-25(29)31-15-16-32(2,3)4)17-21(23)22-18-27(12-8-24(22)28)20-9-13-30-14-10-20;1-2-8-22-18-4-3-14(20)12-16(18)17-13-21(9-5-19(17)22)15-6-10-23-11-7-15/h5-7,17,20H,1,8-16,18H2,2-4H3,(H,26,29);2-4,12,15H,1,5-11,13,20H2
InChIKeyMWFBCIHUTUDWKU-UHFFFAOYSA-N
XLogP8.20
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.10
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate?
The IUPAC name of 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate (CID 159689317) is 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate.
What is the SMILES notation for 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate?
The canonical SMILES for 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate is C=CCn1c2c(c3cc(N)ccc31)CN(C1CCOCC1)CC2.C=CCn1c2c(c3cc(NC(=O)OCC[Si](C)(C)C)ccc31)CN(C1CCOCC1)CC2.
What is the InChIKey of 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate?
The InChIKey is MWFBCIHUTUDWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3Si.C19H25N3O/c1-5-11-28-23-7-6-19(26-25(29)31-15-16-32(2,3)4)17-21(23)22-18-27(12-8-24(22)28)20-9-13-30-14-10-20;1-2-8-22-18-4-3-14(20)12-16(18)17-13-21(9-5-19(17)22)15-6-10-23-11-7-15/h5-7,17,20H,1,8-16,18H2,2-4H3,(H,26,29);2-4,12,15H,1,5-11,13,20H2.
What are the key properties of 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate?
2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate has a molecular weight of 767.10 g/mol, XLogP of 8.20, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine;2-trimethylsilylethyl N-[2-(oxan-4-yl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]carbamate is sourced from PubChem (CID 159689317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).