3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine

C10H16N2 — CID 143177449

IUPAC3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine
SMILESNN1CCC(C2=CC=CCC2)C1
InChIInChI=1S/C10H16N2/c11-12-7-6-10(8-12)9-4-2-1-3-5-9/h1-2,4,10H,3,5-8,11H2
InChIKeyRPCIYMNYWQRDDP-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.46
Rot. Bonds1

About 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine

3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine (PubChem CID 143177449) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine
PubChem CID143177449
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine
SMILESNN1CCC(C2=CC=CCC2)C1
InChIInChI=1S/C10H16N2/c11-12-7-6-10(8-12)9-4-2-1-3-5-9/h1-2,4,10H,3,5-8,11H2
InChIKeyRPCIYMNYWQRDDP-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2,3,3a,7a-tetrahydroindol-1-amine
CID 89400259
3,3a,4,7,8,8a-hexahydro-1H-cyclohepta[c]pyrrol-2-amine
CID 121261261
5-Methyl-2,3,3a,4,7,7a-hexahydroindol-1-amine
CID 135226701
2-methyl-3-[(Z)-2-methylbut-2-enyl]pyrrolidin-1-amine
CID 146487868
7,9-dimethyl-9a-propan-2-yl-3,3a-dihydro-2H-cycloocta[b]pyrrol-1-amine
CID 173684559
2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-8-amine
CID 178161582
3-Cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine
CID 143969479
1-Ethyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]hydrazine
CID 145478745

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine?
The IUPAC name of 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine (CID 143177449) is 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine is NN1CCC(C2=CC=CCC2)C1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine?
The InChIKey is RPCIYMNYWQRDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-12-7-6-10(8-12)9-4-2-1-3-5-9/h1-2,4,10H,3,5-8,11H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine?
3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-amine is sourced from PubChem (CID 143177449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).