4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane

C18H27ClN2Sn — CID 142995319

IUPAC4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane
SMILESCc1cccc(N2CCN(CCC3CCCCC3)[Sn]C2)c1Cl
InChIInChI=1S/C18H27ClN2.Sn/c1-15-7-6-10-17(18(15)19)21(2)14-13-20-12-11-16-8-4-3-5-9-16;/h6-7,10,16H,2-5,8-9,11-14H2,1H3;/q-1;+1
InChIKeyHNJNAPSSGGIRCY-UHFFFAOYSA-N
MW425.59 g/mol
LogP4.32
Rot. Bonds4

About 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane

4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane (PubChem CID 142995319) has the molecular formula C18H27ClN2Sn and a molecular weight of 425.59 g/mol. Its IUPAC name is 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane.

Molecular Properties

Compound Name4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane
PubChem CID142995319
Molecular FormulaC18H27ClN2Sn
Molecular Weight425.59 g/mol
Exact Mass426.09
IUPAC Name4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane
SMILESCc1cccc(N2CCN(CCC3CCCCC3)[Sn]C2)c1Cl
InChIInChI=1S/C18H27ClN2.Sn/c1-15-7-6-10-17(18(15)19)21(2)14-13-20-12-11-16-8-4-3-5-9-16;/h6-7,10,16H,2-5,8-9,11-14H2,1H3;/q-1;+1
InChIKeyHNJNAPSSGGIRCY-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane?
The IUPAC name of 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane (CID 142995319) is 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane.
What is the SMILES notation for 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane?
The canonical SMILES for 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane is Cc1cccc(N2CCN(CCC3CCCCC3)[Sn]C2)c1Cl.
What is the InChIKey of 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane?
The InChIKey is HNJNAPSSGGIRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2.Sn/c1-15-7-6-10-17(18(15)19)21(2)14-13-20-12-11-16-8-4-3-5-9-16;/h6-7,10,16H,2-5,8-9,11-14H2,1H3;/q-1;+1.
What are the key properties of 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane?
4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane has a molecular weight of 425.59 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylphenyl)-1-(2-cyclohexylethyl)-1,4,2λ2-diazastanninane is sourced from PubChem (CID 142995319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).