2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine

C15H29N5 — CID 66133264

IUPAC2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
SMILESCCn1cncc1C(CN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29N5/c1-5-18-12-17-11-14(18)13(10-16)19-6-8-20(9-7-19)15(2,3)4/h11-13H,5-10,16H2,1-4H3
InChIKeyAGWITGXDQXKCQV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine

2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine (PubChem CID 66133264) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
PubChem CID66133264
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
SMILESCCn1cncc1C(CN)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29N5/c1-5-18-12-17-11-14(18)13(10-16)19-6-8-20(9-7-19)15(2,3)4/h11-13H,5-10,16H2,1-4H3
InChIKeyAGWITGXDQXKCQV-UHFFFAOYSA-N
XLogP1.32
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133686
2-(3-ethylimidazol-4-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 66134503
2-(3-propylimidazol-4-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 66130807
2-(4-propylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131010
2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131413
3-(3-ethylimidazol-4-yl)-3-morpholin-4-ylpropanoic acid
CID 66133322
2-(4-ethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131009
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66391495
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163612
1-[2-amino-1-(3-propylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 66132201
2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 66133682
2-(1,4-diazepan-1-yl)-2-(3-ethylimidazol-4-yl)ethanol
CID 66134960

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine (CID 66133264) is 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine is CCn1cncc1C(CN)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine?
The InChIKey is AGWITGXDQXKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-18-12-17-11-14(18)13(10-16)19-6-8-20(9-7-19)15(2,3)4/h11-13H,5-10,16H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine?
2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66133264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).