1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine

C11H17N — CID 20647668

IUPAC1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
SMILESCC(N)=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H17N/c1-6-7(2)9(4)11(8(6)3)10(5)12/h12H2,1-5H3
InChIKeyDPNAEUBRDAGFDW-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.91
Rot. Bonds

About 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine

1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine (PubChem CID 20647668) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine.

Molecular Properties

Compound Name1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
PubChem CID20647668
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine
SMILESCC(N)=C1C(C)=C(C)C(C)=C1C
InChIInChI=1S/C11H17N/c1-6-7(2)9(4)11(8(6)3)10(5)12/h12H2,1-5H3
InChIKeyDPNAEUBRDAGFDW-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The IUPAC name of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine (CID 20647668) is 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine.
What is the SMILES notation for 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The canonical SMILES for 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine is CC(N)=C1C(C)=C(C)C(C)=C1C.
What is the InChIKey of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
The InChIKey is DPNAEUBRDAGFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-6-7(2)9(4)11(8(6)3)10(5)12/h12H2,1-5H3.
What are the key properties of 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine?
1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ylidene)ethanamine is sourced from PubChem (CID 20647668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).