3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine

C12H29NSi — CID 106323152

IUPAC3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine
SMILESCCCNCC(C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H29NSi/c1-7-8-13-9-12(11(2)3)10-14(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyGGJDTJVVGMSEBE-UHFFFAOYSA-N
MW215.46 g/mol
LogP3.60
Rot. Bonds7

About 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine

3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine (PubChem CID 106323152) has the molecular formula C12H29NSi and a molecular weight of 215.46 g/mol. Its IUPAC name is 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine
PubChem CID106323152
Molecular FormulaC12H29NSi
Molecular Weight215.46 g/mol
Exact Mass215.21
IUPAC Name3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine
SMILESCCCNCC(C[Si](C)(C)C)C(C)C
InChIInChI=1S/C12H29NSi/c1-7-8-13-9-12(11(2)3)10-14(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyGGJDTJVVGMSEBE-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine (CID 106323152) is 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine is CCCNCC(C[Si](C)(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine?
The InChIKey is GGJDTJVVGMSEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NSi/c1-7-8-13-9-12(11(2)3)10-14(4,5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine?
3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine has a molecular weight of 215.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-2-(trimethylsilylmethyl)butan-1-amine is sourced from PubChem (CID 106323152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).