CID 6329161

C18H40In2N2-2 — CID 6329161

IUPAC—
SMILESC1CC[N-]CC1.C1CC[N-]CC1.CC[In]CC.CC[In]CC
InChIInChI=1S/2C5H10N.4C2H5.2In/c2*1-2-4-6-5-3-1;4*1-2;;/h2*1-5H2;4*1H2,2H3;;/q2*-1;;;;;;
InChIKeyNCDBGHXIXKFPCS-UHFFFAOYSA-N
MW514.17 g/mol
LogP6.22
Rot. Bonds4

About CID 6329161

CID 6329161 (PubChem CID 6329161) has the molecular formula C18H40In2N2-2 and a molecular weight of 514.17 g/mol.

Molecular Properties

Compound NameCID 6329161
PubChem CID6329161
Molecular FormulaC18H40In2N2-2
Molecular Weight514.17 g/mol
Exact Mass514.13
IUPAC Name—
SMILESC1CC[N-]CC1.C1CC[N-]CC1.CC[In]CC.CC[In]CC
InChIInChI=1S/2C5H10N.4C2H5.2In/c2*1-2-4-6-5-3-1;4*1-2;;/h2*1-5H2;4*1H2,2H3;;/q2*-1;;;;;;
InChIKeyNCDBGHXIXKFPCS-UHFFFAOYSA-N
XLogP6.22
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.17
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 6329161?
The IUPAC name of CID 6329161 (CID 6329161) is not available.
What is the SMILES notation for CID 6329161?
The canonical SMILES for CID 6329161 is C1CC[N-]CC1.C1CC[N-]CC1.CC[In]CC.CC[In]CC.
What is the InChIKey of CID 6329161?
The InChIKey is NCDBGHXIXKFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10N.4C2H5.2In/c2*1-2-4-6-5-3-1;4*1-2;;/h2*1-5H2;4*1H2,2H3;;/q2*-1;;;;;;.
What are the key properties of CID 6329161?
CID 6329161 has a molecular weight of 514.17 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6329161 is sourced from PubChem (CID 6329161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).