1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine

C10H22N2O — CID 103532310

IUPAC1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCC(OC)C1)NC
InChIInChI=1S/C10H22N2O/c1-4-9(11-2)7-12-6-5-10(8-12)13-3/h9-11H,4-8H2,1-3H3
InChIKeyZBDZGWPCNKZQMK-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine

1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine (PubChem CID 103532310) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
PubChem CID103532310
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCC(OC)C1)NC
InChIInChI=1S/C10H22N2O/c1-4-9(11-2)7-12-6-5-10(8-12)13-3/h9-11H,4-8H2,1-3H3
InChIKeyZBDZGWPCNKZQMK-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxypiperidin-1-yl)-N-methylpentan-2-amine
CID 62042280
1-(3-methoxypiperidin-1-yl)-N-methylpentan-2-amine
CID 102965544
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
N-ethyl-1-(4-methoxypiperidin-1-yl)butan-2-amine
CID 62038006
6-(3-methoxypiperidin-1-yl)-N-methylhexan-3-amine
CID 106800149
3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
CID 103538030
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
CID 130670186
1-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537643
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 103532073
1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine
CID 103532336
N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 62039052

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine (CID 103532310) is 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine is CCC(CN1CCC(OC)C1)NC.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine?
The InChIKey is ZBDZGWPCNKZQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-9(11-2)7-12-6-5-10(8-12)13-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine?
1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 103532310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).