3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine

C17H30N2Si — CID 103437796

IUPAC3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
SMILESC[Si](C)(C)c1ccc(CNCCCN2CCCC2)cc1
InChIInChI=1S/C17H30N2Si/c1-20(2,3)17-9-7-16(8-10-17)15-18-11-6-14-19-12-4-5-13-19/h7-10,18H,4-6,11-15H2,1-3H3
InChIKeyQQERXWHSSBDYBZ-UHFFFAOYSA-N
MW290.53 g/mol
LogP2.81
Rot. Bonds7

About 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine

3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine (PubChem CID 103437796) has the molecular formula C17H30N2Si and a molecular weight of 290.53 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
PubChem CID103437796
Molecular FormulaC17H30N2Si
Molecular Weight290.53 g/mol
Exact Mass290.22
IUPAC Name3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
SMILESC[Si](C)(C)c1ccc(CNCCCN2CCCC2)cc1
InChIInChI=1S/C17H30N2Si/c1-20(2,3)17-9-7-16(8-10-17)15-18-11-6-14-19-12-4-5-13-19/h7-10,18H,4-6,11-15H2,1-3H3
InChIKeyQQERXWHSSBDYBZ-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.53
LogP ≤ 52.81
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

3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
CID 58788403
N'-[(4-trimethylsilylphenyl)methyl]ethane-1,2-diamine
CID 103437754
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
N-(1,2-oxazol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62989600
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
N-[3-[(4-trimethylsilylphenyl)methylamino]propyl]methanesulfonamide
CID 106336342

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine (CID 103437796) is 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine is C[Si](C)(C)c1ccc(CNCCCN2CCCC2)cc1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine?
The InChIKey is QQERXWHSSBDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2Si/c1-20(2,3)17-9-7-16(8-10-17)15-18-11-6-14-19-12-4-5-13-19/h7-10,18H,4-6,11-15H2,1-3H3.
What are the key properties of 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine?
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine has a molecular weight of 290.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 103437796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).