N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine

C19H29NSi — CID 15804382

IUPACN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine
SMILESCC1=C(C)C([Si](C)(C)NC(C)c2ccccc2)C(C)=C1C
InChIInChI=1S/C19H29NSi/c1-13-14(2)16(4)19(15(13)3)21(6,7)20-17(5)18-11-9-8-10-12-18/h8-12,17,19-20H,1-7H3
InChIKeyYTUSUDYATDUACI-UHFFFAOYSA-N
MW299.53 g/mol
LogP5.60
Rot. Bonds4

About N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine

N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine (PubChem CID 15804382) has the molecular formula C19H29NSi and a molecular weight of 299.53 g/mol. Its IUPAC name is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine
PubChem CID15804382
Molecular FormulaC19H29NSi
Molecular Weight299.53 g/mol
Exact Mass299.21
IUPAC NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine
SMILESCC1=C(C)C([Si](C)(C)NC(C)c2ccccc2)C(C)=C1C
InChIInChI=1S/C19H29NSi/c1-13-14(2)16(4)19(15(13)3)21(6,7)20-17(5)18-11-9-8-10-12-18/h8-12,17,19-20H,1-7H3
InChIKeyYTUSUDYATDUACI-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Amphetamine
CID 3007
Dextroamphetamine
CID 5826
1-Phenethylamine
CID 7408
(-)-Amphetamine
CID 32893
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
1-(4-Methylphenyl)ethylamine
CID 577386
1-Phenylpropan-1-amine
CID 18054
(1S)-1-phenylpropan-1-amine
CID 6993773
2-Amino-1-phenylbutane
CID 103771
1-Phenylethane-1,2-diamine
CID 432011
Phenethylamine, TMS derivative
CID 25276

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine?
The IUPAC name of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine (CID 15804382) is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine.
What is the SMILES notation for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine?
The canonical SMILES for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine is CC1=C(C)C([Si](C)(C)NC(C)c2ccccc2)C(C)=C1C.
What is the InChIKey of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine?
The InChIKey is YTUSUDYATDUACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NSi/c1-13-14(2)16(4)19(15(13)3)21(6,7)20-17(5)18-11-9-8-10-12-18/h8-12,17,19-20H,1-7H3.
What are the key properties of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine?
N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine has a molecular weight of 299.53 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-1-phenylethanamine is sourced from PubChem (CID 15804382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).