1-cyclopenta-1,3-dien-1-yl-N-methylethanamine

C8H13N — CID 12564950

IUPAC1-cyclopenta-1,3-dien-1-yl-N-methylethanamine
SMILESCNC(C)C1=CC=CC1
InChIInChI=1S/C8H13N/c1-7(9-2)8-5-3-4-6-8/h3-5,7,9H,6H2,1-2H3
InChIKeyQWPHOMWCOFITCG-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds2

About 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine

1-cyclopenta-1,3-dien-1-yl-N-methylethanamine (PubChem CID 12564950) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-N-methylethanamine
PubChem CID12564950
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-cyclopenta-1,3-dien-1-yl-N-methylethanamine
SMILESCNC(C)C1=CC=CC1
InChIInChI=1S/C8H13N/c1-7(9-2)8-5-3-4-6-8/h3-5,7,9H,6H2,1-2H3
InChIKeyQWPHOMWCOFITCG-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine (CID 12564950) is 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine is CNC(C)C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
The InChIKey is QWPHOMWCOFITCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7(9-2)8-5-3-4-6-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
1-cyclopenta-1,3-dien-1-yl-N-methylethanamine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-N-methylethanamine is sourced from PubChem (CID 12564950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).