CID 22121637

C17H35N2Se — CID 22121637

IUPAC—
SMILES[H]/N=C(\[Se])N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C17H35N2Se/c1-3-5-7-9-11-13-15-19(17(18)20)16-14-12-10-8-6-4-2/h18H,3-16H2,1-2H3/b18-17-
InChIKeySFQDZSIHHLCORD-ZCXUNETKSA-N
MW346.44 g/mol
LogP5.11
Rot. Bonds14

About CID 22121637

CID 22121637 (PubChem CID 22121637) has the molecular formula C17H35N2Se and a molecular weight of 346.44 g/mol.

Molecular Properties

Compound NameCID 22121637
PubChem CID22121637
Molecular FormulaC17H35N2Se
Molecular Weight346.44 g/mol
Exact Mass347.20
IUPAC Name—
SMILES[H]/N=C(\[Se])N(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C17H35N2Se/c1-3-5-7-9-11-13-15-19(17(18)20)16-14-12-10-8-6-4-2/h18H,3-16H2,1-2H3/b18-17-
InChIKeySFQDZSIHHLCORD-ZCXUNETKSA-N
XLogP5.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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2-carbamimidoyl-1,1-dihexylguanidine;hydrochloride
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N,N,N',N'-tetrahexyloxamide
CID 6424911
1-amino-1-heptadecylguanidine
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1-amino-1-dodecylguanidine
CID 141286246
N,N-dibutylbutanimidamide
CID 63175446
dioctylcarbamodithioic acid;hydrate
CID 174703129
2-carbamimidoyl-1,1-dipentylguanidine;hydrochloride
CID 176530565
sodium 2-[carbamimidoyl(tridecyl)amino]acetate
CID 25029236

Frequently Asked Questions

What is the IUPAC name of CID 22121637?
The IUPAC name of CID 22121637 (CID 22121637) is not available.
What is the SMILES notation for CID 22121637?
The canonical SMILES for CID 22121637 is [H]/N=C(\[Se])N(CCCCCCCC)CCCCCCCC.
What is the InChIKey of CID 22121637?
The InChIKey is SFQDZSIHHLCORD-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H35N2Se/c1-3-5-7-9-11-13-15-19(17(18)20)16-14-12-10-8-6-4-2/h18H,3-16H2,1-2H3/b18-17-.
What are the key properties of CID 22121637?
CID 22121637 has a molecular weight of 346.44 g/mol, XLogP of 5.11, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22121637 is sourced from PubChem (CID 22121637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).