1-(3-trimethylsilylpropylamino)propan-2-one

C9H21NOSi — CID 175115112

IUPAC1-(3-trimethylsilylpropylamino)propan-2-one
SMILESCC(=O)CNCCC[Si](C)(C)C
InChIInChI=1S/C9H21NOSi/c1-9(11)8-10-6-5-7-12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyJRAAVWHLMNDNHY-UHFFFAOYSA-N
MW187.36 g/mol
LogP1.89
Rot. Bonds6

About 1-(3-trimethylsilylpropylamino)propan-2-one

1-(3-trimethylsilylpropylamino)propan-2-one (PubChem CID 175115112) has the molecular formula C9H21NOSi and a molecular weight of 187.36 g/mol. Its IUPAC name is 1-(3-trimethylsilylpropylamino)propan-2-one.

Molecular Properties

Compound Name1-(3-trimethylsilylpropylamino)propan-2-one
PubChem CID175115112
Molecular FormulaC9H21NOSi
Molecular Weight187.36 g/mol
Exact Mass187.14
IUPAC Name1-(3-trimethylsilylpropylamino)propan-2-one
SMILESCC(=O)CNCCC[Si](C)(C)C
InChIInChI=1S/C9H21NOSi/c1-9(11)8-10-6-5-7-12(2,3)4/h10H,5-8H2,1-4H3
InChIKeyJRAAVWHLMNDNHY-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[3-(2-oxopropylamino)propyl]propanamide
CID 71439535
6-trimethylsilyl-N-(3-trimethylsilylpropyl)hexan-1-amine
CID 158108196
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063
5-oxo-N-(3-trimethylsilylpropyl)pentanamide
CID 18730827
N-[2-[3-[dihydroxy(methyl)silyl]propylamino]ethyl]acetamide
CID 102052869
N-(3-trimethylsilylpropyl)octadecan-1-amine;hydrochloride
CID 175238930
N'-(3-trimethylsilylpropyl)pentane-1,5-diamine
CID 161138133
2-(2-oxopropylamino)ethanesulfonamide
CID 157109351
N-propyl-4-trimethylsilylbutan-1-amine
CID 642556
[acetyloxy-[3-(2-aminoethylamino)propyl]-methylsilyl] acetate
CID 87568873
(2R)-4-oxo-2-(sulfanylmethyl)-N-(4-trimethylsilylbutyl)pentanamide
CID 23630322
S-(3-trimethylsilylpropyl) ethanethioate
CID 58554711

Frequently Asked Questions

What is the IUPAC name of 1-(3-trimethylsilylpropylamino)propan-2-one?
The IUPAC name of 1-(3-trimethylsilylpropylamino)propan-2-one (CID 175115112) is 1-(3-trimethylsilylpropylamino)propan-2-one.
What is the SMILES notation for 1-(3-trimethylsilylpropylamino)propan-2-one?
The canonical SMILES for 1-(3-trimethylsilylpropylamino)propan-2-one is CC(=O)CNCCC[Si](C)(C)C.
What is the InChIKey of 1-(3-trimethylsilylpropylamino)propan-2-one?
The InChIKey is JRAAVWHLMNDNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOSi/c1-9(11)8-10-6-5-7-12(2,3)4/h10H,5-8H2,1-4H3.
What are the key properties of 1-(3-trimethylsilylpropylamino)propan-2-one?
1-(3-trimethylsilylpropylamino)propan-2-one has a molecular weight of 187.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-trimethylsilylpropylamino)propan-2-one is sourced from PubChem (CID 175115112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).