2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

C15H32N2O2 — CID 103540000

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOC1CN(C(CNCC(C)C)C(C)C)CC1OC
InChIInChI=1S/C15H32N2O2/c1-11(2)7-16-8-13(12(3)4)17-9-14(18-5)15(10-17)19-6/h11-16H,7-10H2,1-6H3
InChIKeyQYYRIGHCFBARPX-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.60
Rot. Bonds8

About 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 103540000) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID103540000
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOC1CN(C(CNCC(C)C)C(C)C)CC1OC
InChIInChI=1S/C15H32N2O2/c1-11(2)7-16-8-13(12(3)4)17-9-14(18-5)15(10-17)19-6/h11-16H,7-10H2,1-6H3
InChIKeyQYYRIGHCFBARPX-UHFFFAOYSA-N
XLogP1.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-2-methylpropan-1-amine
CID 103539875
3-methyl-2-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437434
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 102967905
2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine
CID 103539835
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 102967967
N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62420010
CID 175939227
CID 175939227
3-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 43207801
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103539922
3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine
CID 103532491
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080
N-[3-methoxy-2-(3,4,5-trimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 103227359

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 103540000) is 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is COC1CN(C(CNCC(C)C)C(C)C)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is QYYRIGHCFBARPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-11(2)7-16-8-13(12(3)4)17-9-14(18-5)15(10-17)19-6/h11-16H,7-10H2,1-6H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 103540000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).