[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine

C11H24N2O — CID 117017613

IUPAC[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
SMILESCOCCCN1CCC(CN)C1(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)10(9-12)5-7-13(11)6-4-8-14-3/h10H,4-9,12H2,1-3H3
InChIKeyYFWBZNJSSBRDAK-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds5

About [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine

[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 117017613) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
PubChem CID117017613
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine
SMILESCOCCCN1CCC(CN)C1(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)10(9-12)5-7-13(11)6-4-8-14-3/h10H,4-9,12H2,1-3H3
InChIKeyYFWBZNJSSBRDAK-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017703
2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine
CID 117017535
1-(3-methoxypropyl)-2,2-dimethylpiperidin-3-ol
CID 117019027
3-[3-(2-aminoethyl)-2,2-dimethylpyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 117017545
1-(3-methoxypropyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020247
1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016800
[1-(3-methoxypropyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020669
[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine
CID 117019709
2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
CID 117018662
1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017264
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine
CID 89113469

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine (CID 117017613) is [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine is COCCCN1CCC(CN)C1(C)C.
What is the InChIKey of [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is YFWBZNJSSBRDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2)10(9-12)5-7-13(11)6-4-8-14-3/h10H,4-9,12H2,1-3H3.
What are the key properties of [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine?
[1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxypropyl)-2,2-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117017613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).