N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine

C20H36N4Si — CID 71008471

IUPACN',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCN(C)C)nc21
InChIInChI=1S/C20H36N4Si/c1-15(2)25(16(3)4,17(5)6)24-13-11-18-9-10-19(22-20(18)24)21-12-14-23(7)8/h9-11,13,15-17H,12,14H2,1-8H3,(H,21,22)
InChIKeyZKURJHMFFBXILA-UHFFFAOYSA-N
MW360.62 g/mol
LogP5.03
Rot. Bonds8

About N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine (PubChem CID 71008471) has the molecular formula C20H36N4Si and a molecular weight of 360.62 g/mol. Its IUPAC name is N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
PubChem CID71008471
Molecular FormulaC20H36N4Si
Molecular Weight360.62 g/mol
Exact Mass360.27
IUPAC NameN',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCN(C)C)nc21
InChIInChI=1S/C20H36N4Si/c1-15(2)25(16(3)4,17(5)6)24-13-11-18-9-10-19(22-20(18)24)21-12-14-23(7)8/h9-11,13,15-17H,12,14H2,1-8H3,(H,21,22)
InChIKeyZKURJHMFFBXILA-UHFFFAOYSA-N
XLogP5.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine (CID 71008471) is N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine is CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCN(C)C)nc21.
What is the InChIKey of N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
The InChIKey is ZKURJHMFFBXILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4Si/c1-15(2)25(16(3)4,17(5)6)24-13-11-18-9-10-19(22-20(18)24)21-12-14-23(7)8/h9-11,13,15-17H,12,14H2,1-8H3,(H,21,22).
What are the key properties of N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine has a molecular weight of 360.62 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-yl]ethane-1,2-diamine is sourced from PubChem (CID 71008471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).