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

C16H31NSi — CID 140980399

IUPACN-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine
SMILESCCCCN[Si](C)(C)CC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H31NSi/c1-8-9-10-17-18(6,7)11-16-14(4)12(2)13(3)15(16)5/h16-17H,8-11H2,1-7H3
InChIKeyDOPOCPJWXKOMLG-UHFFFAOYSA-N
MW265.52 g/mol
LogP4.88
Rot. Bonds6

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

N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine (PubChem CID 140980399) has the molecular formula C16H31NSi and a molecular weight of 265.52 g/mol. Its IUPAC name is N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine.

Molecular Properties

Compound NameN-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine
PubChem CID140980399
Molecular FormulaC16H31NSi
Molecular Weight265.52 g/mol
Exact Mass265.22
IUPAC NameN-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine
SMILESCCCCN[Si](C)(C)CC1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H31NSi/c1-8-9-10-17-18(6,7)11-16-14(4)12(2)13(3)15(16)5/h16-17H,8-11H2,1-7H3
InChIKeyDOPOCPJWXKOMLG-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.52
LogP ≤ 54.88
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 N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine?
The IUPAC name of N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine (CID 140980399) is N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine.
What is the SMILES notation for N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine?
The canonical SMILES for N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine is CCCCN[Si](C)(C)CC1C(C)=C(C)C(C)=C1C.
What is the InChIKey of N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine?
The InChIKey is DOPOCPJWXKOMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NSi/c1-8-9-10-17-18(6,7)11-16-14(4)12(2)13(3)15(16)5/h16-17H,8-11H2,1-7H3.
What are the key properties of N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine?
N-[dimethyl-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]silyl]butan-1-amine has a molecular weight of 265.52 g/mol, XLogP of 4.88, 6 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)methyl]silyl]butan-1-amine is sourced from PubChem (CID 140980399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).