N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine

C16H28N2 — CID 79057451

IUPACN-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine
SMILESC#CCCC(NCC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H28N2/c1-3-5-10-15(17-4-2)16(11-6-7-12-16)18-13-8-9-14-18/h1,15,17H,4-14H2,2H3
InChIKeyVAXFQMUUZUJRFI-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine

N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine (PubChem CID 79057451) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine
PubChem CID79057451
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine
SMILESC#CCCC(NCC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H28N2/c1-3-5-10-15(17-4-2)16(11-6-7-12-16)18-13-8-9-14-18/h1,15,17H,4-14H2,2H3
InChIKeyVAXFQMUUZUJRFI-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine?
The IUPAC name of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine (CID 79057451) is N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine is C#CCCC(NCC)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine?
The InChIKey is VAXFQMUUZUJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-5-10-15(17-4-2)16(11-6-7-12-16)18-13-8-9-14-18/h1,15,17H,4-14H2,2H3.
What are the key properties of N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine?
N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)pent-4-yn-1-amine is sourced from PubChem (CID 79057451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).