(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine

C14H26N2Si — CID 155775630

IUPAC(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine
SMILESC[C@@H](N)CN(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H26N2Si/c1-13(15)10-16(12-17(2,3)4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,15H2,1-4H3/t13-/m1/s1
InChIKeyFETABIQTJHAXNZ-CYBMUJFWSA-N
MW250.46 g/mol
LogP2.71
Rot. Bonds6

About (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine

(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine (PubChem CID 155775630) has the molecular formula C14H26N2Si and a molecular weight of 250.46 g/mol. Its IUPAC name is (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine
PubChem CID155775630
Molecular FormulaC14H26N2Si
Molecular Weight250.46 g/mol
Exact Mass250.19
IUPAC Name(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine
SMILESC[C@@H](N)CN(Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C14H26N2Si/c1-13(15)10-16(12-17(2,3)4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,15H2,1-4H3/t13-/m1/s1
InChIKeyFETABIQTJHAXNZ-CYBMUJFWSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine?
The IUPAC name of (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine (CID 155775630) is (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine?
The canonical SMILES for (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine is C[C@@H](N)CN(Cc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine?
The InChIKey is FETABIQTJHAXNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2Si/c1-13(15)10-16(12-17(2,3)4)11-14-8-6-5-7-9-14/h5-9,13H,10-12,15H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine?
(2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine has a molecular weight of 250.46 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-benzyl-1-N-(trimethylsilylmethyl)propane-1,2-diamine is sourced from PubChem (CID 155775630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).