N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine

C15H31N3 — CID 63621875

IUPACN-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCCC1CN(C(C)CNC2CCCC2)CCN1C
InChIInChI=1S/C15H31N3/c1-4-15-12-18(10-9-17(15)3)13(2)11-16-14-7-5-6-8-14/h13-16H,4-12H2,1-3H3
InChIKeyPELKDRHPWVHZSH-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds5

About N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine

N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine (PubChem CID 63621875) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
PubChem CID63621875
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCCC1CN(C(C)CNC2CCCC2)CCN1C
InChIInChI=1S/C15H31N3/c1-4-15-12-18(10-9-17(15)3)13(2)11-16-14-7-5-6-8-14/h13-16H,4-12H2,1-3H3
InChIKeyPELKDRHPWVHZSH-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine (CID 63621875) is N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine is CCC1CN(C(C)CNC2CCCC2)CCN1C.
What is the InChIKey of N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine?
The InChIKey is PELKDRHPWVHZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-15-12-18(10-9-17(15)3)13(2)11-16-14-7-5-6-8-14/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine?
N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 63621875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).