2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine

C16H31N5 — CID 66163612

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
SMILESCCC(C)N1CCN(C(CN)c2cncn2C(C)C)CC1
InChIInChI=1S/C16H31N5/c1-5-14(4)19-6-8-20(9-7-19)15(10-17)16-11-18-12-21(16)13(2)3/h11-15H,5-10,17H2,1-4H3
InChIKeyUBCHXBZTOUPZOL-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.88
Rot. Bonds6

About 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine

2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine (PubChem CID 66163612) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
PubChem CID66163612
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
SMILESCCC(C)N1CCN(C(CN)c2cncn2C(C)C)CC1
InChIInChI=1S/C16H31N5/c1-5-14(4)19-6-8-20(9-7-19)15(10-17)16-11-18-12-21(16)13(2)3/h11-15H,5-10,17H2,1-4H3
InChIKeyUBCHXBZTOUPZOL-UHFFFAOYSA-N
XLogP1.88
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxypiperidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163603
2-(3-propan-2-ylimidazol-4-yl)-2-(4-propylazepan-1-yl)ethanamine
CID 66163414
2-(2-methylmorpholin-4-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66162994
1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 66164594
2-(4-butan-2-ylpiperazin-1-yl)-2-pyridin-4-ylethanamine
CID 62774987
2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 106586426
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66164793
2-(3-propan-2-ylimidazol-4-yl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592602
2-(4-tert-butylpiperazin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133264
2-(4,4-dimethylpiperidin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133686
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
CID 66164186
2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 66141630

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine (CID 66163612) is 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine is CCC(C)N1CCN(C(CN)c2cncn2C(C)C)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
The InChIKey is UBCHXBZTOUPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-5-14(4)19-6-8-20(9-7-19)15(10-17)16-11-18-12-21(16)13(2)3/h11-15H,5-10,17H2,1-4H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine?
2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine has a molecular weight of 293.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66163612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).