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

C19H37NSi — CID 101209514

IUPACN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine
SMILESCC1=C(C)C(C)C([Si](C)(C)NC(C)(C)CC(C)(C)C)=C1C
InChIInChI=1S/C19H37NSi/c1-13-14(2)16(4)17(15(13)3)21(10,11)20-19(8,9)12-18(5,6)7/h15,20H,12H2,1-11H3
InChIKeyZLQBUYPTEWMQPP-UHFFFAOYSA-N
MW307.60 g/mol
LogP5.84
Rot. Bonds4

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

N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 101209514) has the molecular formula C19H37NSi and a molecular weight of 307.60 g/mol. Its IUPAC name is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine
PubChem CID101209514
Molecular FormulaC19H37NSi
Molecular Weight307.60 g/mol
Exact Mass307.27
IUPAC NameN-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine
SMILESCC1=C(C)C(C)C([Si](C)(C)NC(C)(C)CC(C)(C)C)=C1C
InChIInChI=1S/C19H37NSi/c1-13-14(2)16(4)17(15(13)3)21(10,11)20-19(8,9)12-18(5,6)7/h15,20H,12H2,1-11H3
InChIKeyZLQBUYPTEWMQPP-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.60
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine (CID 101209514) is N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine is CC1=C(C)C(C)C([Si](C)(C)NC(C)(C)CC(C)(C)C)=C1C.
What is the InChIKey of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is ZLQBUYPTEWMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NSi/c1-13-14(2)16(4)17(15(13)3)21(10,11)20-19(8,9)12-18(5,6)7/h15,20H,12H2,1-11H3.
What are the key properties of N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine?
N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 307.60 g/mol, XLogP of 5.84, 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-1,3-dien-1-yl)silyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 101209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).