N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

C15H33N3O — CID 103227359

IUPACN-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H33N3O/c1-12(2)7-16-8-15(11-19-6)18-9-13(3)17(5)14(4)10-18/h12-16H,7-11H2,1-6H3
InChIKeyOWRDCFKETSYMCX-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.27
Rot. Bonds7

About N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 103227359) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID103227359
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC NameN-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H33N3O/c1-12(2)7-16-8-15(11-19-6)18-9-13(3)17(5)14(4)10-18/h12-16H,7-11H2,1-6H3
InChIKeyOWRDCFKETSYMCX-UHFFFAOYSA-N
XLogP1.27
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-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

3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 103227363
N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine
CID 114540171
N-[2-(4-ethoxypiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103225839
N-[2-(2-ethylthiomorpholin-4-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227294
N-[2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103226698
2-(4-ethyl-3-methylpiperazin-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226580
N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226570
N-ethyl-3-methoxy-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503315
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103539922
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
N-ethyl-3-methoxy-2-(2-methylthiomorpholin-4-yl)propan-1-amine
CID 103227271
N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine
CID 103227496

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (CID 103227359) is N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)N1CC(C)N(C)C(C)C1.
What is the InChIKey of N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is OWRDCFKETSYMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-12(2)7-16-8-15(11-19-6)18-9-13(3)17(5)14(4)10-18/h12-16H,7-11H2,1-6H3.
What are the key properties of N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103227359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).