CID 171589189

C17H38N3Sn — CID 171589189

IUPAC—
SMILESCCC1N(C(C)C)[Sn](N(C(C)(C)C)C(C)(C)C)N1C(C)C
InChIInChI=1S/C9H20N2.C8H18N.Sn/c1-6-9(10-7(2)3)11-8(4)5;1-7(2,3)9-8(4,5)6;/h7-9H,6H2,1-5H3;1-6H3;/q-2;-1;+3
InChIKeyLSTDGBNNHDCNBW-UHFFFAOYSA-N
MW403.22 g/mol
LogP4.04
Rot. Bonds4

About CID 171589189

CID 171589189 (PubChem CID 171589189) has the molecular formula C17H38N3Sn and a molecular weight of 403.22 g/mol.

Molecular Properties

Compound NameCID 171589189
PubChem CID171589189
Molecular FormulaC17H38N3Sn
Molecular Weight403.22 g/mol
Exact Mass404.21
IUPAC Name—
SMILESCCC1N(C(C)C)[Sn](N(C(C)(C)C)C(C)(C)C)N1C(C)C
InChIInChI=1S/C9H20N2.C8H18N.Sn/c1-6-9(10-7(2)3)11-8(4)5;1-7(2,3)9-8(4,5)6;/h7-9H,6H2,1-5H3;1-6H3;/q-2;-1;+3
InChIKeyLSTDGBNNHDCNBW-UHFFFAOYSA-N
XLogP4.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 171589189?
The IUPAC name of CID 171589189 (CID 171589189) is not available.
What is the SMILES notation for CID 171589189?
The canonical SMILES for CID 171589189 is CCC1N(C(C)C)[Sn](N(C(C)(C)C)C(C)(C)C)N1C(C)C.
What is the InChIKey of CID 171589189?
The InChIKey is LSTDGBNNHDCNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C8H18N.Sn/c1-6-9(10-7(2)3)11-8(4)5;1-7(2,3)9-8(4,5)6;/h7-9H,6H2,1-5H3;1-6H3;/q-2;-1;+3.
What are the key properties of CID 171589189?
CID 171589189 has a molecular weight of 403.22 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171589189 is sourced from PubChem (CID 171589189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).