1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine

C15H28N2 — CID 79057179

IUPAC1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H28N2/c1-2-3-4-9-14(16)15(10-5-6-11-15)17-12-7-8-13-17/h2,14H,1,3-13,16H2
InChIKeyVNYDXKGXJNWWNF-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.08
Rot. Bonds6

About 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine

1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine (PubChem CID 79057179) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine
PubChem CID79057179
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H28N2/c1-2-3-4-9-14(16)15(10-5-6-11-15)17-12-7-8-13-17/h2,14H,1,3-13,16H2
InChIKeyVNYDXKGXJNWWNF-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine?
The IUPAC name of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine (CID 79057179) is 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine?
The canonical SMILES for 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine is C=CCCCC(N)C1(N2CCCC2)CCCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine?
The InChIKey is VNYDXKGXJNWWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-4-9-14(16)15(10-5-6-11-15)17-12-7-8-13-17/h2,14H,1,3-13,16H2.
What are the key properties of 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine?
1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylcyclopentyl)hex-5-en-1-amine is sourced from PubChem (CID 79057179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).