CID 158722967

C2H38N6 — CID 158722967

IUPAC—
SMILES[2H]C[2H].[2H]C[2H].[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N[2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/2CH4.6H3N.6H2/h2*1H4;6*1H3;6*1H/i2*1D2;;;;;;;3*1+1D;3*1+1/hD7
InChIKeyIKDMHKAFQUYCBW-MAXPUESUSA-N
MW166.49 g/mol
LogP3.72
Rot. Bonds

About CID 158722967

CID 158722967 (PubChem CID 158722967) has the molecular formula C2H38N6 and a molecular weight of 166.49 g/mol.

Molecular Properties

Compound NameCID 158722967
PubChem CID158722967
Molecular FormulaC2H38N6
Molecular Weight166.49 g/mol
Exact Mass166.44
IUPAC Name—
SMILES[2H]C[2H].[2H]C[2H].[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N[2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/2CH4.6H3N.6H2/h2*1H4;6*1H3;6*1H/i2*1D2;;;;;;;3*1+1D;3*1+1/hD7
InChIKeyIKDMHKAFQUYCBW-MAXPUESUSA-N
XLogP3.72
TPSA210.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500166.49
LogP ≤ 53.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 158722967?
The IUPAC name of CID 158722967 (CID 158722967) is not available.
What is the SMILES notation for CID 158722967?
The canonical SMILES for CID 158722967 is [2H]C[2H].[2H]C[2H].[2H]N.[2H]N.[2H]N.[2H]N.[2H]N.[2H]N[2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H].
What is the InChIKey of CID 158722967?
The InChIKey is IKDMHKAFQUYCBW-MAXPUESUSA-N. The full InChI is InChI=1S/2CH4.6H3N.6H2/h2*1H4;6*1H3;6*1H/i2*1D2;;;;;;;3*1+1D;3*1+1/hD7.
What are the key properties of CID 158722967?
CID 158722967 has a molecular weight of 166.49 g/mol, XLogP of 3.72, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158722967 is sourced from PubChem (CID 158722967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).