2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone

C15H32N4O — CID 62009786

IUPAC2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCCN(CC(=O)N1CCN(C)CC1)C(C)(CC)CN
InChIInChI=1S/C15H32N4O/c1-5-7-19(15(3,6-2)13-16)12-14(20)18-10-8-17(4)9-11-18/h5-13,16H2,1-4H3
InChIKeyBFBQMFXENHCFJI-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.60
Rot. Bonds7

About 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 62009786) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID62009786
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCCN(CC(=O)N1CCN(C)CC1)C(C)(CC)CN
InChIInChI=1S/C15H32N4O/c1-5-7-19(15(3,6-2)13-16)12-14(20)18-10-8-17(4)9-11-18/h5-13,16H2,1-4H3
InChIKeyBFBQMFXENHCFJI-UHFFFAOYSA-N
XLogP0.60
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-amino-2-methylpropan-2-yl)-propylamino]-1-(azepan-1-yl)ethanone
CID 62008767
2-[ethyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123375
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 61348571
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-N-pentan-3-ylacetamide
CID 62008778
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 107494811
N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
CID 130390843
2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 102875219
4-[(1-amino-2-methylbutan-2-yl)-propylamino]-2-methylbutan-2-ol
CID 79360585
2-N,2-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,2-diamine
CID 82889191
1-(4-methylpiperazin-1-yl)hexan-1-one
CID 3470875

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 62009786) is 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone is CCCN(CC(=O)N1CCN(C)CC1)C(C)(CC)CN.
What is the InChIKey of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is BFBQMFXENHCFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-7-19(15(3,6-2)13-16)12-14(20)18-10-8-17(4)9-11-18/h5-13,16H2,1-4H3.
What are the key properties of 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 284.45 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62009786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).