N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine

C15H28N2 — CID 79057718

IUPACN-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine
SMILESC=CC(NCCC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H28N2/c1-3-11-16-14(4-2)15(9-5-6-10-15)17-12-7-8-13-17/h4,14,16H,2-3,5-13H2,1H3
InChIKeyLYEPCXRVMCISCN-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds6

About N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine

N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine (PubChem CID 79057718) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine
PubChem CID79057718
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine
SMILESC=CC(NCCC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C15H28N2/c1-3-11-16-14(4-2)15(9-5-6-10-15)17-12-7-8-13-17/h4,14,16H,2-3,5-13H2,1H3
InChIKeyLYEPCXRVMCISCN-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine?
The IUPAC name of N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine (CID 79057718) is N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine.
What is the SMILES notation for N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine?
The canonical SMILES for N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine is C=CC(NCCC)C1(N2CCCC2)CCCC1.
What is the InChIKey of N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine?
The InChIKey is LYEPCXRVMCISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-11-16-14(4-2)15(9-5-6-10-15)17-12-7-8-13-17/h4,14,16H,2-3,5-13H2,1H3.
What are the key properties of N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine?
N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)prop-2-en-1-amine is sourced from PubChem (CID 79057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).