2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine

C10H22N2O2 — CID 103534710

IUPAC2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCC(OC)C1
InChIInChI=1S/C10H22N2O2/c1-13-9(7-11)3-5-12-6-4-10(8-12)14-2/h9-10H,3-8,11H2,1-2H3
InChIKeyKWWMEWLRVOAASP-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.07
Rot. Bonds6

About 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine

2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine (PubChem CID 103534710) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
PubChem CID103534710
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine
SMILESCOC(CN)CCN1CCC(OC)C1
InChIInChI=1S/C10H22N2O2/c1-13-9(7-11)3-5-12-6-4-10(8-12)14-2/h9-10H,3-8,11H2,1-2H3
InChIKeyKWWMEWLRVOAASP-UHFFFAOYSA-N
XLogP0.07
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxybutan-1-amine
CID 103534891
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
2-methoxy-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 106115075
2-methoxy-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 103152450
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
2-ethyl-4-(4-methoxypiperidin-1-yl)butan-1-amine
CID 81079775
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methoxybutan-1-amine
CID 103152536
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine (CID 103534710) is 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine is COC(CN)CCN1CCC(OC)C1.
What is the InChIKey of 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
The InChIKey is KWWMEWLRVOAASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-13-9(7-11)3-5-12-6-4-10(8-12)14-2/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine?
2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methoxypyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 103534710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).