CID 11105912

C6H12NSe — CID 11105912

IUPAC—
SMILES[H]/N=C(\[Se])CCCCC
InChIInChI=1S/C6H12NSe/c1-2-3-4-5-6(7)8/h7H,2-5H2,1H3/b7-6-
InChIKeyFIHSMEDRLSZESD-SREVYHEPSA-N
MW177.13 g/mol
LogP1.71
Rot. Bonds4

About CID 11105912

CID 11105912 (PubChem CID 11105912) has the molecular formula C6H12NSe and a molecular weight of 177.13 g/mol.

Molecular Properties

Compound NameCID 11105912
PubChem CID11105912
Molecular FormulaC6H12NSe
Molecular Weight177.13 g/mol
Exact Mass178.01
IUPAC Name—
SMILES[H]/N=C(\[Se])CCCCC
InChIInChI=1S/C6H12NSe/c1-2-3-4-5-6(7)8/h7H,2-5H2,1H3/b7-6-
InChIKeyFIHSMEDRLSZESD-SREVYHEPSA-N
XLogP1.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.71
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'}

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Related Compounds

heptan-2-imine;propane;tungsten
CID 57359574
1-butylsulfinylhexan-1-imine
CID 175288725
2-iminotetradecane-1-thiol
CID 167079244
CID 22121637
CID 22121637
3-iminododecan-1-ol
CID 57239624
CID 176520430
CID 176520430
2-iminohexadecanal
CID 142761147
heptanimidoyl cyanide
CID 155128085
heptyl octanimidate
CID 18721401
10-hexyloctadecan-9-imine
CID 170012526
ethane-1,2-diamine;bis(hexadecanimidate)
CID 170842762
CID 161078070
CID 161078070

Frequently Asked Questions

What is the IUPAC name of CID 11105912?
The IUPAC name of CID 11105912 (CID 11105912) is not available.
What is the SMILES notation for CID 11105912?
The canonical SMILES for CID 11105912 is [H]/N=C(\[Se])CCCCC.
What is the InChIKey of CID 11105912?
The InChIKey is FIHSMEDRLSZESD-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12NSe/c1-2-3-4-5-6(7)8/h7H,2-5H2,1H3/b7-6-.
What are the key properties of CID 11105912?
CID 11105912 has a molecular weight of 177.13 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11105912 is sourced from PubChem (CID 11105912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).