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

C14H31N3O — CID 103227363

IUPAC3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCOCC(CNC(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-11(2)15-7-14(10-18-6)17-8-12(3)16(5)13(4)9-17/h11-15H,7-10H2,1-6H3
InChIKeyDVZOPULPPTYJJY-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.02
Rot. Bonds6

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

3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (PubChem CID 103227363) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
PubChem CID103227363
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
SMILESCOCC(CNC(C)C)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H31N3O/c1-11(2)15-7-14(10-18-6)17-8-12(3)16(5)13(4)9-17/h11-15H,7-10H2,1-6H3
InChIKeyDVZOPULPPTYJJY-UHFFFAOYSA-N
XLogP1.02
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227359
3-methoxy-N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503291
2-(2,5-dimethylpiperidin-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226831
3-methoxy-2-(2-methylpyrrolidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 103225175
3-methoxy-N-propan-2-yl-2-thiomorpholin-4-ylpropan-1-amine
CID 103225478
3-methoxy-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propan-2-ylpropan-1-amine
CID 103227037
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226460
2-(5-ethyl-2-methylmorpholin-4-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103226255
N-[2-(3,4-dimethylpiperazin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226570
1-methoxy-N-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 114540325
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103539922
N-(2-methylpropyl)-2-(3,4,5-trimethylpiperazin-1-yl)pentan-1-amine
CID 114540171

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine (CID 103227363) is 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is COCC(CNC(C)C)N1CC(C)N(C)C(C)C1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
The InChIKey is DVZOPULPPTYJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-11(2)15-7-14(10-18-6)17-8-12(3)16(5)13(4)9-17/h11-15H,7-10H2,1-6H3.
What are the key properties of 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine?
3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 103227363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).