2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine

C15H28N2O3Si — CID 67882549

IUPAC2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine
SMILESCO[Si](CCC(N)C(C)NCc1ccccc1)(OC)OC
InChIInChI=1S/C15H28N2O3Si/c1-13(17-12-14-8-6-5-7-9-14)15(16)10-11-21(18-2,19-3)20-4/h5-9,13,15,17H,10-12,16H2,1-4H3
InChIKeyIBUJOTQGCYAVTR-UHFFFAOYSA-N
MW312.49 g/mol
LogP1.76
Rot. Bonds10

About 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine

2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine (PubChem CID 67882549) has the molecular formula C15H28N2O3Si and a molecular weight of 312.49 g/mol. Its IUPAC name is 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine
PubChem CID67882549
Molecular FormulaC15H28N2O3Si
Molecular Weight312.49 g/mol
Exact Mass312.19
IUPAC Name2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine
SMILESCO[Si](CCC(N)C(C)NCc1ccccc1)(OC)OC
InChIInChI=1S/C15H28N2O3Si/c1-13(17-12-14-8-6-5-7-9-14)15(16)10-11-21(18-2,19-3)20-4/h5-9,13,15,17H,10-12,16H2,1-4H3
InChIKeyIBUJOTQGCYAVTR-UHFFFAOYSA-N
XLogP1.76
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
CID 140645888
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
CID 151836311
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
methyl (2R)-2-(benzylamino)-4-methylsulfanylbutanoate;hydrochloride
CID 56777111
dimethyl 2-(benzylamino)propanedioate
CID 562185
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine?
The IUPAC name of 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine (CID 67882549) is 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine.
What is the SMILES notation for 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine?
The canonical SMILES for 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine is CO[Si](CCC(N)C(C)NCc1ccccc1)(OC)OC.
What is the InChIKey of 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine?
The InChIKey is IBUJOTQGCYAVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3Si/c1-13(17-12-14-8-6-5-7-9-14)15(16)10-11-21(18-2,19-3)20-4/h5-9,13,15,17H,10-12,16H2,1-4H3.
What are the key properties of 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine?
2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine has a molecular weight of 312.49 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine is sourced from PubChem (CID 67882549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).