[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine

C9H20N2O2 — CID 66222772

IUPAC[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCOC(CN1CCC(CN)C1)OC
InChIInChI=1S/C9H20N2O2/c1-12-9(13-2)7-11-4-3-8(5-10)6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyPVSNQMBYSNOTMC-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.11
Rot. Bonds5

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

[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine (PubChem CID 66222772) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
PubChem CID66222772
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCOC(CN1CCC(CN)C1)OC
InChIInChI=1S/C9H20N2O2/c1-12-9(13-2)7-11-4-3-8(5-10)6-11/h8-9H,3-7,10H2,1-2H3
InChIKeyPVSNQMBYSNOTMC-UHFFFAOYSA-N
XLogP-0.11
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
1-(2,2-dimethoxyethyl)piperidin-4-amine
CID 66221486
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanamine
CID 83144621
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
CID 66223207
[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
CID 115028625
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
CID 112626536
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
CID 112739446
[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine
CID 62064120
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine (CID 66222772) is [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine is COC(CN1CCC(CN)C1)OC.
What is the InChIKey of [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is PVSNQMBYSNOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-9(13-2)7-11-4-3-8(5-10)6-11/h8-9H,3-7,10H2,1-2H3.
What are the key properties of [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine?
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 188.27 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66222772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).