N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine

C29H62N6O2 — CID 167593600

IUPACN-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
SMILESCCCCCCN1CCN(CCOCCN(C)CCOCCN2CCN(CCN(C)CCC)CC2)CC1
InChIInChI=1S/C29H62N6O2/c1-5-7-8-9-11-32-14-18-34(19-15-32)24-28-36-26-22-31(4)23-27-37-29-25-35-20-16-33(17-21-35)13-12-30(3)10-6-2/h5-29H2,1-4H3
InChIKeyRXKCRYDJOBGYRG-UHFFFAOYSA-N
MW526.86 g/mol
LogP2.11
Rot. Bonds22

About N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine

N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine (PubChem CID 167593600) has the molecular formula C29H62N6O2 and a molecular weight of 526.86 g/mol. Its IUPAC name is N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
PubChem CID167593600
Molecular FormulaC29H62N6O2
Molecular Weight526.86 g/mol
Exact Mass526.49
IUPAC NameN-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
SMILESCCCCCCN1CCN(CCOCCN(C)CCOCCN2CCN(CCN(C)CCC)CC2)CC1
InChIInChI=1S/C29H62N6O2/c1-5-7-8-9-11-32-14-18-34(19-15-32)24-28-36-26-22-31(4)23-27-37-29-25-35-20-16-33(17-21-35)13-12-30(3)10-6-2/h5-29H2,1-4H3
InChIKeyRXKCRYDJOBGYRG-UHFFFAOYSA-N
XLogP2.11
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.86
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(2-piperidin-1-ylethoxy)ethyl]butan-1-amine
CID 172611817
N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 118891655
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121
3-hexoxy-N-methyl-N-propylpropan-1-amine
CID 155459820
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-[2-[2-[2-[bis(2-hydroxytetradecyl)amino]ethoxy]ethoxy]ethyl-[2-[4-[2-[2-[2-[bis(2-hydroxytetradecyl)amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethyl]amino]tetradecan-2-ol
CID 171653812
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
CID 118889595
N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
CID 143882413
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
The IUPAC name of N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine (CID 167593600) is N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine is CCCCCCN1CCN(CCOCCN(C)CCOCCN2CCN(CCN(C)CCC)CC2)CC1.
What is the InChIKey of N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
The InChIKey is RXKCRYDJOBGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62N6O2/c1-5-7-8-9-11-32-14-18-34(19-15-32)24-28-36-26-22-31(4)23-27-37-29-25-35-20-16-33(17-21-35)13-12-30(3)10-6-2/h5-29H2,1-4H3.
What are the key properties of N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine has a molecular weight of 526.86 g/mol, XLogP of 2.11, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 167593600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).