3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol

C14H25NO3Si — CID 174934490

IUPAC3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol
SMILESCCC(O)(CC[Si](C)(OC)OC)Nc1ccccc1
InChIInChI=1S/C14H25NO3Si/c1-5-14(16,11-12-19(4,17-2)18-3)15-13-9-7-6-8-10-13/h6-10,15-16H,5,11-12H2,1-4H3
InChIKeyJAVLKRLNBSYUMX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.95
Rot. Bonds8

About 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol

3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol (PubChem CID 174934490) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol.

Molecular Properties

Compound Name3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol
PubChem CID174934490
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol
SMILESCCC(O)(CC[Si](C)(OC)OC)Nc1ccccc1
InChIInChI=1S/C14H25NO3Si/c1-5-14(16,11-12-19(4,17-2)18-3)15-13-9-7-6-8-10-13/h6-10,15-16H,5,11-12H2,1-4H3
InChIKeyJAVLKRLNBSYUMX-UHFFFAOYSA-N
XLogP2.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-[dimethoxy(methyl)silyl]propyl]-3-phenylpentan-3-amine;hydrochloride
CID 175433479
1-anilino-1-chloropropan-1-ol;hydrochloride
CID 141024057
2-anilino-2-ethylbutan-1-ol
CID 61046791
3-anilino-3-hydroxy-2-methylpentanenitrile
CID 70529323
2-[2-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66883166
aniline;3-[dimethoxy(methyl)silyl]propan-1-ol
CID 174790638
methyl 2-anilino-2-(4-fluorophenyl)butanoate
CID 60992178
methyl 2-anilino-2-(2-fluorophenyl)butanoate
CID 115994470
4-anilino-4-methylhexanoic acid
CID 70438970
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
2-anilino-2-methylpentan-1-ol
CID 61046243
2-(3-hydroxypentan-3-ylamino)benzoic acid
CID 175069795

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol?
The IUPAC name of 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol (CID 174934490) is 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol.
What is the SMILES notation for 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol?
The canonical SMILES for 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol is CCC(O)(CC[Si](C)(OC)OC)Nc1ccccc1.
What is the InChIKey of 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol?
The InChIKey is JAVLKRLNBSYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-5-14(16,11-12-19(4,17-2)18-3)15-13-9-7-6-8-10-13/h6-10,15-16H,5,11-12H2,1-4H3.
What are the key properties of 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol?
3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol has a molecular weight of 283.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-[dimethoxy(methyl)silyl]pentan-3-ol is sourced from PubChem (CID 174934490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).