CID 173108240

C17H32NO2Se — CID 173108240

IUPAC—
SMILESC1CCC(NC2CCCCC2)CC1.CCCC(O)C(=O)[Se]
InChIInChI=1S/C12H23N.C5H9O2Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4(6)5(7)8/h11-13H,1-10H2;4,6H,2-3H2,1H3
InChIKeyYOHAVGZMMWBUPR-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.08
Rot. Bonds5

About CID 173108240

CID 173108240 (PubChem CID 173108240) has the molecular formula C17H32NO2Se and a molecular weight of 361.41 g/mol.

Molecular Properties

Compound NameCID 173108240
PubChem CID173108240
Molecular FormulaC17H32NO2Se
Molecular Weight361.41 g/mol
Exact Mass362.16
IUPAC Name—
SMILESC1CCC(NC2CCCCC2)CC1.CCCC(O)C(=O)[Se]
InChIInChI=1S/C12H23N.C5H9O2Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4(6)5(7)8/h11-13H,1-10H2;4,6H,2-3H2,1H3
InChIKeyYOHAVGZMMWBUPR-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
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2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 173108240?
The IUPAC name of CID 173108240 (CID 173108240) is not available.
What is the SMILES notation for CID 173108240?
The canonical SMILES for CID 173108240 is C1CCC(NC2CCCCC2)CC1.CCCC(O)C(=O)[Se].
What is the InChIKey of CID 173108240?
The InChIKey is YOHAVGZMMWBUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C5H9O2Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4(6)5(7)8/h11-13H,1-10H2;4,6H,2-3H2,1H3.
What are the key properties of CID 173108240?
CID 173108240 has a molecular weight of 361.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173108240 is sourced from PubChem (CID 173108240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).