3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

C12H27N3O — CID 103225740

IUPAC3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCNCC(COC)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H27N3O/c1-11(2)14-5-7-15(8-6-14)12(9-13-3)10-16-4/h11-13H,5-10H2,1-4H3
InChIKeyPKTKGNAWDHYSJR-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds6

About 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine

3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 103225740) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID103225740
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCNCC(COC)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H27N3O/c1-11(2)14-5-7-15(8-6-14)12(9-13-3)10-16-4/h11-13H,5-10H2,1-4H3
InChIKeyPKTKGNAWDHYSJR-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-(morpholin-4-yl)propan-2-amine
CID 201497
4-Morpholineethanamine, alpha-methyl-
CID 170951
2-(Morpholin-4-yl)propan-1-amine
CID 16641454
1-(3-Methoxypropyl)piperazine
CID 1822536
1-(2-Methoxyethyl)piperazine
CID 2734638
1-(2-Ethoxyethyl)piperazine
CID 2734643
2-(2-Methylpiperazin-1-yl)ethan-1-ol
CID 14747391
2-(2,6-Dimethylmorpholin-4-yl)ethanamine
CID 2756423
1-(2-Propoxyethyl)piperazine
CID 2760475
N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-amine
CID 7144968
(4-Methylmorpholin-3-yl)methanamine
CID 10396873

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine (CID 103225740) is 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is CNCC(COC)N1CCN(C(C)C)CC1.
What is the InChIKey of 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is PKTKGNAWDHYSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(2)14-5-7-15(8-6-14)12(9-13-3)10-16-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine?
3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 103225740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).