CID 174821997

C15H29N2Se — CID 174821997

IUPAC—
SMILESCCCCC1CCCCC1(CCCC)/N=C(/N)[Se]
InChIInChI=1S/C15H29N2Se/c1-3-5-9-13-10-7-8-12-15(13,11-6-4-2)17-14(16)18/h13H,3-12H2,1-2H3,(H2,16,17)
InChIKeyMKDFKGAWRBHITB-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.78
Rot. Bonds7

About CID 174821997

CID 174821997 (PubChem CID 174821997) has the molecular formula C15H29N2Se and a molecular weight of 316.37 g/mol.

Molecular Properties

Compound NameCID 174821997
PubChem CID174821997
Molecular FormulaC15H29N2Se
Molecular Weight316.37 g/mol
Exact Mass317.15
IUPAC Name—
SMILESCCCCC1CCCCC1(CCCC)/N=C(/N)[Se]
InChIInChI=1S/C15H29N2Se/c1-3-5-9-13-10-7-8-12-15(13,11-6-4-2)17-14(16)18/h13H,3-12H2,1-2H3,(H2,16,17)
InChIKeyMKDFKGAWRBHITB-UHFFFAOYSA-N
XLogP3.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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azane;2-butyl-1,1-dimethylcyclopentane
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1-butylcyclohexane-1,2-diamine;dihydrochloride
CID 174736992
2-heptyl-1,1-dimethylcycloundecane
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1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
2-butyl-1-methyl-1-methylsulfanylcyclohexane
CID 139397086
carboxyoxyperoxy (1,2-dibutylcyclohexyl) carbonate
CID 91559865
2-butyl-1,1-bis(tert-butylperoxy)cyclohexane
CID 87794362
2-butyl-1-ethynylcyclopentan-1-ol
CID 23346684
trans-(1R,2S)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of CID 174821997?
The IUPAC name of CID 174821997 (CID 174821997) is not available.
What is the SMILES notation for CID 174821997?
The canonical SMILES for CID 174821997 is CCCCC1CCCCC1(CCCC)/N=C(/N)[Se].
What is the InChIKey of CID 174821997?
The InChIKey is MKDFKGAWRBHITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N2Se/c1-3-5-9-13-10-7-8-12-15(13,11-6-4-2)17-14(16)18/h13H,3-12H2,1-2H3,(H2,16,17).
What are the key properties of CID 174821997?
CID 174821997 has a molecular weight of 316.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174821997 is sourced from PubChem (CID 174821997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).