3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine

C9H15N — CID 11094687

IUPAC3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine
SMILESCNCCCC1=CC=CC1
InChIInChI=1S/C9H15N/c1-10-8-4-7-9-5-2-3-6-9/h2-3,5,10H,4,6-8H2,1H3
InChIKeyVQAYISPQTCLGFS-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds4

About 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine

3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine (PubChem CID 11094687) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine
PubChem CID11094687
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine
SMILESCNCCCC1=CC=CC1
InChIInChI=1S/C9H15N/c1-10-8-4-7-9-5-2-3-6-9/h2-3,5,10H,4,6-8H2,1H3
InChIKeyVQAYISPQTCLGFS-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
3-Cyclopenta-1,3-dien-1-ylpropan-1-amine
CID 14591841
2,3,4,5-tetrahydro-1H-isoindole
CID 17907442
1,2,3,4,5,6-Hexahydroisoquinoline
CID 22152420
2-(Cyclopenta-2,4-dien-1-yl)-N-methylethanamine
CID 12109886
2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 15392411
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
(4E,6Z)-4-fluoro-N-methyl-3-methylideneocta-4,6-dien-1-amine
CID 142112936
2-(7-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylethanamine
CID 143109911
2-(2-fluorocyclohepta-1,4,6-trien-1-yl)-N-methylethanamine
CID 143110097
2-(2-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanamine
CID 143110131

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine (CID 11094687) is 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine is CNCCCC1=CC=CC1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine?
The InChIKey is VQAYISPQTCLGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10-8-4-7-9-5-2-3-6-9/h2-3,5,10H,4,6-8H2,1H3.
What are the key properties of 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine?
3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 11094687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).