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

C7H11N — CID 21350723

IUPAC1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine
SMILESCNCC1=CC=CC1
InChIInChI=1S/C7H11N/c1-8-6-7-4-2-3-5-7/h2-4,8H,5-6H2,1H3
InChIKeyRIDBBPDTFFVDQF-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.09
Rot. Bonds2

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

1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine (PubChem CID 21350723) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine
PubChem CID21350723
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine
SMILESCNCC1=CC=CC1
InChIInChI=1S/C7H11N/c1-8-6-7-4-2-3-5-7/h2-4,8H,5-6H2,1H3
InChIKeyRIDBBPDTFFVDQF-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.09
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-methylmethanamine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine (CID 21350723) is 1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine is CNCC1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine?
The InChIKey is RIDBBPDTFFVDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-8-6-7-4-2-3-5-7/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine?
1-cyclopenta-1,3-dien-1-yl-N-methylmethanamine has a molecular weight of 109.17 g/mol, XLogP of 1.09, 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-methylmethanamine is sourced from PubChem (CID 21350723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).