3-cyclopenta-1,3-dien-1-ylpropan-1-amine

C8H13N — CID 14591841

IUPAC3-cyclopenta-1,3-dien-1-ylpropan-1-amine
SMILESNCCCC1=CC=CC1
InChIInChI=1S/C8H13N/c9-7-3-6-8-4-1-2-5-8/h1-2,4H,3,5-7,9H2
InChIKeyOVOWKEMFACGSCZ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.61
Rot. Bonds3

About 3-cyclopenta-1,3-dien-1-ylpropan-1-amine

3-cyclopenta-1,3-dien-1-ylpropan-1-amine (PubChem CID 14591841) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-ylpropan-1-amine
PubChem CID14591841
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-cyclopenta-1,3-dien-1-ylpropan-1-amine
SMILESNCCCC1=CC=CC1
InChIInChI=1S/C8H13N/c9-7-3-6-8-4-1-2-5-8/h1-2,4H,3,5-7,9H2
InChIKeyOVOWKEMFACGSCZ-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 129674506
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CID 68342135
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
The IUPAC name of 3-cyclopenta-1,3-dien-1-ylpropan-1-amine (CID 14591841) is 3-cyclopenta-1,3-dien-1-ylpropan-1-amine.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-ylpropan-1-amine is NCCCC1=CC=CC1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
The InChIKey is OVOWKEMFACGSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c9-7-3-6-8-4-1-2-5-8/h1-2,4H,3,5-7,9H2.
What are the key properties of 3-cyclopenta-1,3-dien-1-ylpropan-1-amine?
3-cyclopenta-1,3-dien-1-ylpropan-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.61, 3 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-ylpropan-1-amine is sourced from PubChem (CID 14591841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).