4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine

C16H35N3O — CID 43147230

IUPAC4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C16H35N3O/c1-14(12-16(4,5)20-7)17-13-15(2,3)19-10-8-18(6)9-11-19/h14,17H,8-13H2,1-7H3
InChIKeyBKEYJAGFCJWQAM-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.81
Rot. Bonds7

About 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine

4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine (PubChem CID 43147230) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
PubChem CID43147230
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C16H35N3O/c1-14(12-16(4,5)20-7)17-13-15(2,3)19-10-8-18(6)9-11-19/h14,17H,8-13H2,1-7H3
InChIKeyBKEYJAGFCJWQAM-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine
CID 70966971
2,4-Dimethyl-4-piperazin-1-ylpentan-2-ol
CID 123392132
4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine
CID 134582275
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 138713270
1-(4-Methoxy-2,4-dimethylpentan-2-yl)piperazine
CID 146180745
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
1-(4-Iodopiperazin-1-yl)-4-methoxy-2,4-dimethylpentan-2-amine
CID 146274281
N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 155214987
ethane;3-[3-(4-ethylpiperazin-1-yl)-3-methylbutoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 168190164
1-[2,4-Dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
CID 170120703
N-(4-methoxy-4-methylpentan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 43146946

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine (CID 43147230) is 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine is COC(C)(C)CC(C)NCC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
The InChIKey is BKEYJAGFCJWQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-14(12-16(4,5)20-7)17-13-15(2,3)19-10-8-18(6)9-11-19/h14,17H,8-13H2,1-7H3.
What are the key properties of 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine?
4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine has a molecular weight of 285.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine is sourced from PubChem (CID 43147230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).