1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol

C13H31NO3Si — CID 174604281

IUPAC1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol
SMILESCCCCN(CCC[Si](C)(OC)OC)C(O)CC
InChIInChI=1S/C13H31NO3Si/c1-6-8-10-14(13(15)7-2)11-9-12-18(5,16-3)17-4/h13,15H,6-12H2,1-5H3
InChIKeyHUDYYCMTAZZLST-UHFFFAOYSA-N
MW277.48 g/mol
LogP2.57
Rot. Bonds11

About 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol

1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol (PubChem CID 174604281) has the molecular formula C13H31NO3Si and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol
PubChem CID174604281
Molecular FormulaC13H31NO3Si
Molecular Weight277.48 g/mol
Exact Mass277.21
IUPAC Name1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol
SMILESCCCCN(CCC[Si](C)(OC)OC)C(O)CC
InChIInChI=1S/C13H31NO3Si/c1-6-8-10-14(13(15)7-2)11-9-12-18(5,16-3)17-4/h13,15H,6-12H2,1-5H3
InChIKeyHUDYYCMTAZZLST-UHFFFAOYSA-N
XLogP2.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
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

1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
1-(dibutylamino)butan-1-ol
CID 19802147
(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid
CID 88852321
2-[2-[3-[dimethoxy(methyl)silyl]propyl-propylamino]-2-oxoethoxy]-N,N-dipropylacetamide
CID 158252099
5-[dimethoxy(methyl)silyl]pentyl-dimethoxy-methylsilane
CID 87101351
N-butyl-N-[3-[1-(dibutylamino)propyl-dimethylsilyl]propyl]butan-1-amine
CID 175084814
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
CID 88852356
dichloro-methyl-octadecylsilane;dimethoxy-methyl-octadecylsilane
CID 174467708
methyl 2-(dibutylamino)-2-hydroxyacetate
CID 139781491
1-[bis(butoxymethyl)amino]propan-1-ol
CID 22138613
4-[dimethoxy(methyl)silyl]butyl-ethylcarbamic acid
CID 87910081

Frequently Asked Questions

What is the IUPAC name of 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol?
The IUPAC name of 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol (CID 174604281) is 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol.
What is the SMILES notation for 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol?
The canonical SMILES for 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol is CCCCN(CCC[Si](C)(OC)OC)C(O)CC.
What is the InChIKey of 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol?
The InChIKey is HUDYYCMTAZZLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NO3Si/c1-6-8-10-14(13(15)7-2)11-9-12-18(5,16-3)17-4/h13,15H,6-12H2,1-5H3.
What are the key properties of 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol?
1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol has a molecular weight of 277.48 g/mol, XLogP of 2.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol is sourced from PubChem (CID 174604281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).