[2-(1-azidoethyl)phenyl]-tricyclohexylstannane

C26H41N3Sn — CID 19359917

IUPAC[2-(1-azidoethyl)phenyl]-tricyclohexylstannane
SMILESCC(N=[N+]=[N-])c1ccccc1[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C8H8N3.3C6H11.Sn/c1-7(10-11-9)8-5-3-2-4-6-8;3*1-2-4-6-5-3-1;/h2-5,7H,1H3;3*1H,2-6H2;
InChIKeyBGTWXCHIYXFVSI-UHFFFAOYSA-N
MW514.35 g/mol
LogP8.72
Rot. Bonds6

About [2-(1-azidoethyl)phenyl]-tricyclohexylstannane

[2-(1-azidoethyl)phenyl]-tricyclohexylstannane (PubChem CID 19359917) has the molecular formula C26H41N3Sn and a molecular weight of 514.35 g/mol. Its IUPAC name is [2-(1-azidoethyl)phenyl]-tricyclohexylstannane.

Molecular Properties

Compound Name[2-(1-azidoethyl)phenyl]-tricyclohexylstannane
PubChem CID19359917
Molecular FormulaC26H41N3Sn
Molecular Weight514.35 g/mol
Exact Mass515.23
IUPAC Name[2-(1-azidoethyl)phenyl]-tricyclohexylstannane
SMILESCC(N=[N+]=[N-])c1ccccc1[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C8H8N3.3C6H11.Sn/c1-7(10-11-9)8-5-3-2-4-6-8;3*1-2-4-6-5-3-1;/h2-5,7H,1H3;3*1H,2-6H2;
InChIKeyBGTWXCHIYXFVSI-UHFFFAOYSA-N
XLogP8.72
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.35
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
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1-[(1R)-1-azidopropyl]-2-fluorobenzene
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N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
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1-(1-azidoethyl)-2-fluoro-4-(trifluoromethyl)benzene
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N-[(2S,3S)-3-cyclohexylpentan-2-yl]aniline
CID 166439055

Frequently Asked Questions

What is the IUPAC name of [2-(1-azidoethyl)phenyl]-tricyclohexylstannane?
The IUPAC name of [2-(1-azidoethyl)phenyl]-tricyclohexylstannane (CID 19359917) is [2-(1-azidoethyl)phenyl]-tricyclohexylstannane.
What is the SMILES notation for [2-(1-azidoethyl)phenyl]-tricyclohexylstannane?
The canonical SMILES for [2-(1-azidoethyl)phenyl]-tricyclohexylstannane is CC(N=[N+]=[N-])c1ccccc1[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of [2-(1-azidoethyl)phenyl]-tricyclohexylstannane?
The InChIKey is BGTWXCHIYXFVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3.3C6H11.Sn/c1-7(10-11-9)8-5-3-2-4-6-8;3*1-2-4-6-5-3-1;/h2-5,7H,1H3;3*1H,2-6H2;.
What are the key properties of [2-(1-azidoethyl)phenyl]-tricyclohexylstannane?
[2-(1-azidoethyl)phenyl]-tricyclohexylstannane has a molecular weight of 514.35 g/mol, XLogP of 8.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-azidoethyl)phenyl]-tricyclohexylstannane is sourced from PubChem (CID 19359917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).