2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine

C12H21N — CID 167159215

IUPAC2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine
SMILESCCN(C)C(C)(CC)C1C=CC=C1
InChIInChI=1S/C12H21N/c1-5-12(3,13(4)6-2)11-9-7-8-10-11/h7-11H,5-6H2,1-4H3
InChIKeyUJPRMUVUXBPWCA-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds4

About 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine

2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine (PubChem CID 167159215) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine
PubChem CID167159215
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine
SMILESCCN(C)C(C)(CC)C1C=CC=C1
InChIInChI=1S/C12H21N/c1-5-12(3,13(4)6-2)11-9-7-8-10-11/h7-11H,5-6H2,1-4H3
InChIKeyUJPRMUVUXBPWCA-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine (CID 167159215) is 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine is CCN(C)C(C)(CC)C1C=CC=C1.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine?
The InChIKey is UJPRMUVUXBPWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-12(3,13(4)6-2)11-9-7-8-10-11/h7-11H,5-6H2,1-4H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine?
2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-N-ethyl-N-methylbutan-2-amine is sourced from PubChem (CID 167159215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).