N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine

C15H31N3 — CID 114540357

IUPACN-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H31N3/c1-12(9-16-15-7-5-6-8-15)18-10-13(2)17(4)14(3)11-18/h12-16H,5-11H2,1-4H3
InChIKeyNETGMVQMERBVOC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds4

About N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine

N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine (PubChem CID 114540357) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine
PubChem CID114540357
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H31N3/c1-12(9-16-15-7-5-6-8-15)18-10-13(2)17(4)14(3)11-18/h12-16H,5-11H2,1-4H3
InChIKeyNETGMVQMERBVOC-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
N-[2-(3-ethylpiperidin-1-yl)propyl]cyclohexanamine
CID 62569538
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine
CID 62568807
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclohexanamine
CID 79945637
N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63621875
N-[2-[3-(trifluoromethyl)piperidin-1-yl]propyl]cyclohexanamine
CID 62556762
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine (CID 114540357) is N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine is CC(CNC1CCCC1)N1CC(C)N(C)C(C)C1.
What is the InChIKey of N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
The InChIKey is NETGMVQMERBVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12(9-16-15-7-5-6-8-15)18-10-13(2)17(4)14(3)11-18/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 114540357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).