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

C13H29N3O — CID 114540325

IUPAC1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3O/c1-11(10-17-5)14-6-7-16-8-12(2)15(4)13(3)9-16/h11-14H,6-10H2,1-5H3
InChIKeyHTGMRYISHVHPGF-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds6

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

1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine (PubChem CID 114540325) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine
PubChem CID114540325
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCOCC(C)NCCN1CC(C)N(C)C(C)C1
InChIInChI=1S/C13H29N3O/c1-11(10-17-5)14-6-7-16-8-12(2)15(4)13(3)9-16/h11-14H,6-10H2,1-5H3
InChIKeyHTGMRYISHVHPGF-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-methoxypropan-2-amine
CID 62575701
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62558793
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55089666
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1-methoxypropan-2-amine
CID 62559859
N-propyl-5-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537915
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-methoxy-N-[(2-methylcyclopropyl)methyl]propan-2-amine
CID 115713098
3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 103227363
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine (CID 114540325) is 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine is COCC(C)NCCN1CC(C)N(C)C(C)C1.
What is the InChIKey of 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine?
The InChIKey is HTGMRYISHVHPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(10-17-5)14-6-7-16-8-12(2)15(4)13(3)9-16/h11-14H,6-10H2,1-5H3.
What are the key properties of 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine?
1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114540325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).