2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine

C15H33N5 — CID 62887962

IUPAC2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(CCN2CCCNCC2)CC1
InChIInChI=1S/C15H33N5/c1-17(2)8-9-19-12-14-20(15-13-19)11-10-18-6-3-4-16-5-7-18/h16H,3-15H2,1-2H3
InChIKeyQFXRIRXHQPUJOB-UHFFFAOYSA-N
MW283.46 g/mol
LogP-0.54
Rot. Bonds6

About 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62887962) has the molecular formula C15H33N5 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62887962
Molecular FormulaC15H33N5
Molecular Weight283.46 g/mol
Exact Mass283.27
IUPAC Name2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(CCN2CCCNCC2)CC1
InChIInChI=1S/C15H33N5/c1-17(2)8-9-19-12-14-20(15-13-19)11-10-18-6-3-4-16-5-7-18/h16H,3-15H2,1-2H3
InChIKeyQFXRIRXHQPUJOB-UHFFFAOYSA-N
XLogP-0.54
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62831308
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994465
2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine
CID 117014513
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-[[2-(1,4-diazepan-1-yl)ethyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421291
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
3-(1,4-diazepan-1-yl)-N,N-diethylpropan-1-amine
CID 56965528
2-(1,4-diazepan-1-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63274337
N-[2-(1,4-diazepan-1-yl)ethyl]-N-propylcyclopropanamine
CID 62832391
1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62887962) is 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(CCN2CCCNCC2)CC1.
What is the InChIKey of 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is QFXRIRXHQPUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5/c1-17(2)8-9-19-12-14-20(15-13-19)11-10-18-6-3-4-16-5-7-18/h16H,3-15H2,1-2H3.
What are the key properties of 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 283.46 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62887962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).