[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine

C12H25N3O — CID 117006031

IUPAC[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
SMILESCOCCN1CCC(N2CCC(CN)C2)C1
InChIInChI=1S/C12H25N3O/c1-16-7-6-14-4-3-12(10-14)15-5-2-11(8-13)9-15/h11-12H,2-10,13H2,1H3
InChIKeyAVAKZSIUMNUYCH-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.01
Rot. Bonds5

About [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine

[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine (PubChem CID 117006031) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
PubChem CID117006031
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine
SMILESCOCCN1CCC(N2CCC(CN)C2)C1
InChIInChI=1S/C12H25N3O/c1-16-7-6-14-4-3-12(10-14)15-5-2-11(8-13)9-15/h11-12H,2-10,13H2,1H3
InChIKeyAVAKZSIUMNUYCH-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
CID 117005638
ethane;4-ethyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
CID 170586343
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolidine-3-carbonitrile
CID 117005960
[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol
CID 117005906
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
CID 114682183

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine (CID 117006031) is [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine is COCCN1CCC(N2CCC(CN)C2)C1.
What is the InChIKey of [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is AVAKZSIUMNUYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-16-7-6-14-4-3-12(10-14)15-5-2-11(8-13)9-15/h11-12H,2-10,13H2,1H3.
What are the key properties of [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine?
[1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 227.35 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methoxyethyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117006031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).