CID 86679153

C16H27BrN2OSi — CID 86679153

IUPAC—
SMILESCC(C)[C@@H](Nc1cncc(Br)c1)C(C)(C)O[Si]C(C)(C)C
InChIInChI=1S/C16H27BrN2OSi/c1-11(2)14(16(6,7)20-21-15(3,4)5)19-13-8-12(17)9-18-10-13/h8-11,14,19H,1-7H3/t14-/m1/s1
InChIKeySUIWAVVXJOURRB-CQSZACIVSA-N
MW371.40 g/mol
LogP4.91
Rot. Bonds6

About CID 86679153

CID 86679153 (PubChem CID 86679153) has the molecular formula C16H27BrN2OSi and a molecular weight of 371.40 g/mol.

Molecular Properties

Compound NameCID 86679153
PubChem CID86679153
Molecular FormulaC16H27BrN2OSi
Molecular Weight371.40 g/mol
Exact Mass370.11
IUPAC Name—
SMILESCC(C)[C@@H](Nc1cncc(Br)c1)C(C)(C)O[Si]C(C)(C)C
InChIInChI=1S/C16H27BrN2OSi/c1-11(2)14(16(6,7)20-21-15(3,4)5)19-13-8-12(17)9-18-10-13/h8-11,14,19H,1-7H3/t14-/m1/s1
InChIKeySUIWAVVXJOURRB-CQSZACIVSA-N
XLogP4.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3,3-dimethylbutan-2-yl)-5-methylpyridin-3-amine
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5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 115657686
5-bromo-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]pyridin-3-amine
CID 97318476
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
CID 115657159
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridin-3-amine
CID 112690448
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-3-amine
CID 106544957
5-bromo-N-(4-ethylsulfanylbutan-2-yl)pyridin-3-amine
CID 115744781

Frequently Asked Questions

What is the IUPAC name of CID 86679153?
The IUPAC name of CID 86679153 (CID 86679153) is not available.
What is the SMILES notation for CID 86679153?
The canonical SMILES for CID 86679153 is CC(C)[C@@H](Nc1cncc(Br)c1)C(C)(C)O[Si]C(C)(C)C.
What is the InChIKey of CID 86679153?
The InChIKey is SUIWAVVXJOURRB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27BrN2OSi/c1-11(2)14(16(6,7)20-21-15(3,4)5)19-13-8-12(17)9-18-10-13/h8-11,14,19H,1-7H3/t14-/m1/s1.
What are the key properties of CID 86679153?
CID 86679153 has a molecular weight of 371.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86679153 is sourced from PubChem (CID 86679153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).