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

C14H31N3O — CID 54861123

IUPAC4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCN1CCN(C)CC1
InChIInChI=1S/C14H31N3O/c1-13(12-14(2,3)18-5)15-6-7-17-10-8-16(4)9-11-17/h13,15H,6-12H2,1-5H3
InChIKeyJHEINIYYSNEBDQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds7

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

4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine (PubChem CID 54861123) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
PubChem CID54861123
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCN1CCN(C)CC1
InChIInChI=1S/C14H31N3O/c1-13(12-14(2,3)18-5)15-6-7-17-10-8-16(4)9-11-17/h13,15H,6-12H2,1-5H3
InChIKeyJHEINIYYSNEBDQ-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 60923926
2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
CID 65338096
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55089666
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butan-1-ol
CID 82889379
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
3-[(4-methoxy-4-methylpentan-2-yl)amino]propanenitrile
CID 43147229
tert-butyl N-[2-[3-(4-methylpiperazin-1-yl)propylamino]propyl]carbamate
CID 103387457

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine (CID 54861123) is 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine is COC(C)(C)CC(C)NCCN1CCN(C)CC1.
What is the InChIKey of 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
The InChIKey is JHEINIYYSNEBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(12-14(2,3)18-5)15-6-7-17-10-8-16(4)9-11-17/h13,15H,6-12H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine?
4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 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-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 54861123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).