N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine

C13H25N5 — CID 63266168

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCCn1ccnc1CN(C)CCN1CCNCC1
InChIInChI=1S/C13H25N5/c1-3-18-9-6-15-13(18)12-16(2)10-11-17-7-4-14-5-8-17/h6,9,14H,3-5,7-8,10-12H2,1-2H3
InChIKeyUZFFJFPUXQZPBH-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.24
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 63266168) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
PubChem CID63266168
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
SMILESCCn1ccnc1CN(C)CCN1CCNCC1
InChIInChI=1S/C13H25N5/c1-3-18-9-6-15-13(18)12-16(2)10-11-17-7-4-14-5-8-17/h6,9,14H,3-5,7-8,10-12H2,1-2H3
InChIKeyUZFFJFPUXQZPBH-UHFFFAOYSA-N
XLogP0.24
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982623
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267446
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine
CID 155962206
N-methyl-2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63267585
N-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 63265435
1,4-diethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552617
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 60850565
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine (CID 63266168) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine is CCn1ccnc1CN(C)CCN1CCNCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is UZFFJFPUXQZPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-18-9-6-15-13(18)12-16(2)10-11-17-7-4-14-5-8-17/h6,9,14H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 251.38 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 63266168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).