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

C15H33N3 — CID 63621701

IUPACN-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)N1CCN(CC)C(C)C1
InChIInChI=1S/C15H33N3/c1-6-8-13(3)16-11-14(4)18-10-9-17(7-2)15(5)12-18/h13-16H,6-12H2,1-5H3
InChIKeyNILOYJOEYSJPJG-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds7

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

N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine (PubChem CID 63621701) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine
PubChem CID63621701
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)N1CCN(CC)C(C)C1
InChIInChI=1S/C15H33N3/c1-6-8-13(3)16-11-14(4)18-10-9-17(7-2)15(5)12-18/h13-16H,6-12H2,1-5H3
InChIKeyNILOYJOEYSJPJG-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-3-methylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63619316
N-[3-(4-ethyl-3-methylpiperazin-1-yl)butyl]cyclopropanamine
CID 55215454
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]pentan-2-amine
CID 66370243
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64704195
2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide
CID 77000740
N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
CID 170184827
N-(2-morpholin-4-ylpropyl)hexan-2-amine
CID 115708396
2-[1-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-5-fluorophenol
CID 82980035
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342
1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
CID 55216953
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]pentan-2-amine
CID 62773872

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine?
The IUPAC name of N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine (CID 63621701) is N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine is CCCC(C)NCC(C)N1CCN(CC)C(C)C1.
What is the InChIKey of N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine?
The InChIKey is NILOYJOEYSJPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-8-13(3)16-11-14(4)18-10-9-17(7-2)15(5)12-18/h13-16H,6-12H2,1-5H3.
What are the key properties of N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine?
N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3-methylpiperazin-1-yl)propyl]pentan-2-amine is sourced from PubChem (CID 63621701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).