N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine

C15H28N2 — CID 116674198

IUPACN-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine
SMILESC1=CC(CCNCCCN2CCCCC2)CC1
InChIInChI=1S/C15H28N2/c1-4-12-17(13-5-1)14-6-10-16-11-9-15-7-2-3-8-15/h2,7,15-16H,1,3-6,8-14H2
InChIKeyMOIPKURBCOLBBG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.81
Rot. Bonds7

About N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine

N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine (PubChem CID 116674198) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine
PubChem CID116674198
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine
SMILESC1=CC(CCNCCCN2CCCCC2)CC1
InChIInChI=1S/C15H28N2/c1-4-12-17(13-5-1)14-6-10-16-11-9-15-7-2-3-8-15/h2,7,15-16H,1,3-6,8-14H2
InChIKeyMOIPKURBCOLBBG-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.81
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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Related Compounds

4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N'-[3-[(11Z)-1-azacyclooctadec-11-en-1-yl]propyl]propane-1,3-diamine
CID 10981385
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614
N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
CID 143268114
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 115513697

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine (CID 116674198) is N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine is C1=CC(CCNCCCN2CCCCC2)CC1.
What is the InChIKey of N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine?
The InChIKey is MOIPKURBCOLBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-12-17(13-5-1)14-6-10-16-11-9-15-7-2-3-8-15/h2,7,15-16H,1,3-6,8-14H2.
What are the key properties of N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine?
N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopent-2-en-1-ylethyl)-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 116674198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).