2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline

C18H35NSn2 — CID 177439563

IUPAC2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline
SMILESCC(C)c1cccc(C(C)C)c1N([Sn](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C12H17N.6CH3.2Sn/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;;;;;;/h5-9H,1-4H3;6*1H3;;
InChIKeyHVMMRTIZCHKGJA-UHFFFAOYSA-N
MW502.91 g/mol
LogP6.41
Rot. Bonds5

About 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline

2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline (PubChem CID 177439563) has the molecular formula C18H35NSn2 and a molecular weight of 502.91 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline
PubChem CID177439563
Molecular FormulaC18H35NSn2
Molecular Weight502.91 g/mol
Exact Mass505.08
IUPAC Name2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline
SMILESCC(C)c1cccc(C(C)C)c1N([Sn](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C12H17N.6CH3.2Sn/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;;;;;;/h5-9H,1-4H3;6*1H3;;
InChIKeyHVMMRTIZCHKGJA-UHFFFAOYSA-N
XLogP6.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.91
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline?
The IUPAC name of 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline (CID 177439563) is 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline.
What is the SMILES notation for 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline?
The canonical SMILES for 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline is CC(C)c1cccc(C(C)C)c1N([Sn](C)(C)C)[Sn](C)(C)C.
What is the InChIKey of 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline?
The InChIKey is HVMMRTIZCHKGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.6CH3.2Sn/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;;;;;;/h5-9H,1-4H3;6*1H3;;.
What are the key properties of 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline?
2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline has a molecular weight of 502.91 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-N,N-bis(trimethylstannyl)aniline is sourced from PubChem (CID 177439563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).