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

C8H13N — CID 15392411

IUPAC2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
SMILESCNCCC1=CC=CC1
InChIInChI=1S/C8H13N/c1-9-7-6-8-4-2-3-5-8/h2-4,9H,5-7H2,1H3
InChIKeyOELPTSWZDCDKSB-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine

2-cyclopenta-1,3-dien-1-yl-N-methylethanamine (PubChem CID 15392411) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
PubChem CID15392411
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
SMILESCNCCC1=CC=CC1
InChIInChI=1S/C8H13N/c1-9-7-6-8-4-2-3-5-8/h2-4,9H,5-7H2,1H3
InChIKeyOELPTSWZDCDKSB-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(N,N-dimethylaminoethyl)cyclopentadiene
CID 12154709
3-Cyclopenta-1,3-dien-1-ylpropan-1-amine
CID 14591841
2,3,4,5-tetrahydro-1H-isoindole
CID 17907442
2-(Cyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 12109886
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89097623
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432
N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
CID 137402236

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine (CID 15392411) is 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine is CNCCC1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
The InChIKey is OELPTSWZDCDKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-9-7-6-8-4-2-3-5-8/h2-4,9H,5-7H2,1H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine?
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine is sourced from PubChem (CID 15392411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).