CID 21360332

C9H19N2O2Si — CID 21360332

IUPAC—
SMILESCOC(=O)CCNCCNCCC[Si]
InChIInChI=1S/C9H19N2O2Si/c1-13-9(12)3-5-11-7-6-10-4-2-8-14/h10-11H,2-8H2,1H3
InChIKeySZSNLGJVQUQPRC-UHFFFAOYSA-N
MW215.35 g/mol
LogP-0.29
Rot. Bonds9

About CID 21360332

CID 21360332 (PubChem CID 21360332) has the molecular formula C9H19N2O2Si and a molecular weight of 215.35 g/mol.

Molecular Properties

Compound NameCID 21360332
PubChem CID21360332
Molecular FormulaC9H19N2O2Si
Molecular Weight215.35 g/mol
Exact Mass215.12
IUPAC Name—
SMILESCOC(=O)CCNCCNCCC[Si]
InChIInChI=1S/C9H19N2O2Si/c1-13-9(12)3-5-11-7-6-10-4-2-8-14/h10-11H,2-8H2,1H3
InChIKeySZSNLGJVQUQPRC-UHFFFAOYSA-N
XLogP-0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
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methyl 3-[3-[3-(methylamino)propylamino]propylamino]propanoate
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methyl 3-(3-methylsulfonylpropylamino)propanoate
CID 61019742
CID 59470608
CID 59470608
methyl 3-[(3-hydroxy-3-methylbutyl)amino]propanoate
CID 79360276
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
3-[(3-methoxy-3-oxopropyl)amino]propyl 2,2-dimethylpropanoate
CID 59031861
methyl 3-[3-[diethoxy(methyl)silyl]propylamino]propanoate
CID 88852058
methyl 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoate
CID 54900962
methyl 4-[2-[methyl(propan-2-yl)amino]ethylamino]butanoate
CID 62640130

Frequently Asked Questions

What is the IUPAC name of CID 21360332?
The IUPAC name of CID 21360332 (CID 21360332) is not available.
What is the SMILES notation for CID 21360332?
The canonical SMILES for CID 21360332 is COC(=O)CCNCCNCCC[Si].
What is the InChIKey of CID 21360332?
The InChIKey is SZSNLGJVQUQPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O2Si/c1-13-9(12)3-5-11-7-6-10-4-2-8-14/h10-11H,2-8H2,1H3.
What are the key properties of CID 21360332?
CID 21360332 has a molecular weight of 215.35 g/mol, XLogP of -0.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21360332 is sourced from PubChem (CID 21360332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).