[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

C10H22N2O — CID 117018733

IUPAC[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCOCCN1CC(CN)CC1(C)C
InChIInChI=1S/C10H22N2O/c1-10(2)6-9(7-11)8-12(10)4-5-13-3/h9H,4-8,11H2,1-3H3
InChIKeyNMYJLACMGDUUTP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds4

About [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 117018733) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID117018733
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCOCCN1CC(CN)CC1(C)C
InChIInChI=1S/C10H22N2O/c1-10(2)6-9(7-11)8-12(10)4-5-13-3/h9H,4-8,11H2,1-3H3
InChIKeyNMYJLACMGDUUTP-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methoxypropyl)-5,5-dimethylpyrrolidin-3-yl]ethanamine
CID 117018662
2-[1-(2-methoxyethyl)-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020474
1-(2-methoxyethyl)-6,6-dimethylpiperidine-3-carboxylic acid
CID 117021222
[1-(3-methoxypropyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020669
2-[4-(aminomethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethanol
CID 176904573
[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018796
[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018828
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107
[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
CID 117006031
1-(3-methoxypropyl)-2,2-dimethylpiperidine-4-carbonitrile
CID 117020247
1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016800
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (CID 117018733) is [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is COCCN1CC(CN)CC1(C)C.
What is the InChIKey of [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is NMYJLACMGDUUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2)6-9(7-11)8-12(10)4-5-13-3/h9H,4-8,11H2,1-3H3.
What are the key properties of [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117018733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).