4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine

C10H15N3 — CID 68696312

IUPAC4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(=NN2CCCC2)C=C1
InChIInChI=1S/C10H15N3/c11-9-3-5-10(6-4-9)12-13-7-1-2-8-13/h3-5H,1-2,6-8,11H2
InChIKeyFZKLVKHCCRGTLV-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.24
Rot. Bonds1

About 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine

4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine (PubChem CID 68696312) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine
PubChem CID68696312
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine
SMILESNC1=CCC(=NN2CCCC2)C=C1
InChIInChI=1S/C10H15N3/c11-9-3-5-10(6-4-9)12-13-7-1-2-8-13/h3-5H,1-2,6-8,11H2
InChIKeyFZKLVKHCCRGTLV-UHFFFAOYSA-N
XLogP1.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine (CID 68696312) is 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine is NC1=CCC(=NN2CCCC2)C=C1.
What is the InChIKey of 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine?
The InChIKey is FZKLVKHCCRGTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-9-3-5-10(6-4-9)12-13-7-1-2-8-13/h3-5H,1-2,6-8,11H2.
What are the key properties of 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine?
4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine has a molecular weight of 177.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yliminocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 68696312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).