CID 176520430

C11H22N3Se — CID 176520430

IUPAC—
SMILES[H]/N=C(\[Se])NN=C(CCC)CCCCCC
InChIInChI=1S/C11H22N3Se/c1-3-5-6-7-9-10(8-4-2)13-14-11(12)15/h3-9H2,1-2H3,(H2,12,14)
InChIKeySKACCLIDXXUINI-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.81
Rot. Bonds8

About CID 176520430

CID 176520430 (PubChem CID 176520430) has the molecular formula C11H22N3Se and a molecular weight of 275.28 g/mol.

Molecular Properties

Compound NameCID 176520430
PubChem CID176520430
Molecular FormulaC11H22N3Se
Molecular Weight275.28 g/mol
Exact Mass276.10
IUPAC Name—
SMILES[H]/N=C(\[Se])NN=C(CCC)CCCCCC
InChIInChI=1S/C11H22N3Se/c1-3-5-6-7-9-10(8-4-2)13-14-11(12)15/h3-9H2,1-2H3,(H2,12,14)
InChIKeySKACCLIDXXUINI-UHFFFAOYSA-N
XLogP2.81
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-decan-4-ylideneamino]urea
CID 121216482
CID 11105912
CID 11105912
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
tert-butyl N-(heptadecan-9-ylideneamino)carbamate
CID 169107611
N,N'-bis(heptan-4-ylideneamino)oxamide
CID 3704991
nonan-4-ylidenehydrazine
CID 140571520
CID 176520432
CID 176520432
(1-chlorononan-4-ylideneamino)thiourea
CID 173180173
N-methyloctan-3-imine
CID 550941
CID 161078070
CID 161078070
N-hydroxytridecanamide
CID 14122613
2-iminotetradecane-1-thiol
CID 167079244

Frequently Asked Questions

What is the IUPAC name of CID 176520430?
The IUPAC name of CID 176520430 (CID 176520430) is not available.
What is the SMILES notation for CID 176520430?
The canonical SMILES for CID 176520430 is [H]/N=C(\[Se])NN=C(CCC)CCCCCC.
What is the InChIKey of CID 176520430?
The InChIKey is SKACCLIDXXUINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3Se/c1-3-5-6-7-9-10(8-4-2)13-14-11(12)15/h3-9H2,1-2H3,(H2,12,14).
What are the key properties of CID 176520430?
CID 176520430 has a molecular weight of 275.28 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176520430 is sourced from PubChem (CID 176520430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).