3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine

C9H20N2O2 — CID 103531206

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
SMILESCOC1CN(CCCN)CC1OC
InChIInChI=1S/C9H20N2O2/c1-12-8-6-11(5-3-4-10)7-9(8)13-2/h8-9H,3-7,10H2,1-2H3
InChIKeyYMLJFLFPFPPSHE-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.32
Rot. Bonds5

About 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine

3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine (PubChem CID 103531206) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
PubChem CID103531206
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
SMILESCOC1CN(CCCN)CC1OC
InChIInChI=1S/C9H20N2O2/c1-12-8-6-11(5-3-4-10)7-9(8)13-2/h8-9H,3-7,10H2,1-2H3
InChIKeyYMLJFLFPFPPSHE-UHFFFAOYSA-N
XLogP-0.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine
CID 129498587
9-(3,4-dimethoxypyrrolidin-1-yl)nonane-1-thiol
CID 103541661
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
(3S,4S)-1-(2-bromoethyl)-3,4-dimethoxypyrrolidine
CID 57053898
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103534891
(3S,4S)-1-(2-chloroethyl)-3,4-dimethoxypyrrolidine;hydrochloride
CID 69418658
N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide
CID 103531208
4-[3-(3,4-dimethoxypyrrolidin-1-yl)propyl]aniline
CID 103533938
4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-1-amine
CID 103539930
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]ethanol
CID 103536895
4-(3,4-dimethoxypyrrolidin-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 103540134
3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride
CID 137331813

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine (CID 103531206) is 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine is COC1CN(CCCN)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
The InChIKey is YMLJFLFPFPPSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-8-6-11(5-3-4-10)7-9(8)13-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine?
3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine has a molecular weight of 188.27 g/mol, XLogP of -0.32, 5 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)propan-1-amine is sourced from PubChem (CID 103531206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).