2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine

C15H31N3 — CID 79565848

IUPAC2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine
SMILESCCN1CCN(CCC2CCCC2NC)CC1C
InChIInChI=1S/C15H31N3/c1-4-18-11-10-17(12-13(18)2)9-8-14-6-5-7-15(14)16-3/h13-16H,4-12H2,1-3H3
InChIKeyRXBHWVRRDVPPBK-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine

2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine (PubChem CID 79565848) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine
PubChem CID79565848
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine
SMILESCCN1CCN(CCC2CCCC2NC)CC1C
InChIInChI=1S/C15H31N3/c1-4-18-11-10-17(12-13(18)2)9-8-14-6-5-7-15(14)16-3/h13-16H,4-12H2,1-3H3
InChIKeyRXBHWVRRDVPPBK-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine (CID 79565848) is 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine is CCN1CCN(CCC2CCCC2NC)CC1C.
What is the InChIKey of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine?
The InChIKey is RXBHWVRRDVPPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-18-11-10-17(12-13(18)2)9-8-14-6-5-7-15(14)16-3/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine?
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79565848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).