1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine

C13H25N5 — CID 106574098

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1CC1CN(C)CCN1C
InChIInChI=1S/C13H25N5/c1-5-14-13-15-11(2)8-18(13)10-12-9-16(3)6-7-17(12)4/h8,12H,5-7,9-10H2,1-4H3,(H,14,15)
InChIKeyUCVVNZDCMFZQKR-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.87
Rot. Bonds4

About 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine

1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine (PubChem CID 106574098) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine
PubChem CID106574098
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine
SMILESCCNc1nc(C)cn1CC1CN(C)CCN1C
InChIInChI=1S/C13H25N5/c1-5-14-13-15-11(2)8-18(13)10-12-9-16(3)6-7-17(12)4/h8,12H,5-7,9-10H2,1-4H3,(H,14,15)
InChIKeyUCVVNZDCMFZQKR-UHFFFAOYSA-N
XLogP0.87
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106574101
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-propylimidazol-2-amine
CID 106567050
N,4-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565242
N-(3-methoxypropyl)-4-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563068
N-cyclopentyl-4-methyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565267
N-ethyl-4-methyl-1-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563883
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106567072
1-(2,2-dimethylpropyl)-N-ethyl-4-methylimidazol-2-amine
CID 106563656
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099
N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581380

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine (CID 106574098) is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine is CCNc1nc(C)cn1CC1CN(C)CCN1C.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine?
The InChIKey is UCVVNZDCMFZQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-14-13-15-11(2)8-18(13)10-12-9-16(3)6-7-17(12)4/h8,12H,5-7,9-10H2,1-4H3,(H,14,15).
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine?
1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine has a molecular weight of 251.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106574098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).