3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine

C13H28N2O2 — CID 103532491

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)N1CC(OC)C(OC)C1
InChIInChI=1S/C13H28N2O2/c1-6-7-14-10(2)11(3)15-8-12(16-4)13(9-15)17-5/h10-14H,6-9H2,1-5H3
InChIKeyAKTHARRSXLQRSH-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds7

About 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine

3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine (PubChem CID 103532491) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine
PubChem CID103532491
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)N1CC(OC)C(OC)C1
InChIInChI=1S/C13H28N2O2/c1-6-7-14-10(2)11(3)15-8-12(16-4)13(9-15)17-5/h10-14H,6-9H2,1-5H3
InChIKeyAKTHARRSXLQRSH-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine
CID 75531171
(((2S,4S)-4-methoxypyrrolidin-2-yl)methyl)dimethylamine
CID 93629690
{[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl}(methyl)amine
CID 121552283
(3s,4s)-4-Methoxy-n-methylpyrrolidin-3-amine
CID 5232365
cis-4-Methoxypyrrolidin-3-amine
CID 14457269
4-Methoxy-1-methylpyrrolidin-3-amine
CID 18985363
(+)-(3s,4s)-3,4-dimethoxy-N-(2-(dimethylamino)ethyl)pyrrolidine
CID 12349499
4,4,4-Trifluoro-3-(3-methoxypyrrolidin-1-yl)butan-2-amine
CID 103530962
2-(3,4-Dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 103530991
2-(3,4-Dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 103531001
3-(3,4-Dimethoxypyrrolidin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 103531224
2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103540023

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine (CID 103532491) is 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine is CCCNC(C)C(C)N1CC(OC)C(OC)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine?
The InChIKey is AKTHARRSXLQRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-7-14-10(2)11(3)15-8-12(16-4)13(9-15)17-5/h10-14H,6-9H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine?
3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 103532491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).