1-(2,2-dimethoxyethyl)pyrrolidin-3-amine

C8H18N2O2 — CID 66222555

IUPAC1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
SMILESCOC(CN1CCC(N)C1)OC
InChIInChI=1S/C8H18N2O2/c1-11-8(12-2)6-10-4-3-7(9)5-10/h7-8H,3-6,9H2,1-2H3
InChIKeyIRMHWKVFAABKMC-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.36
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine

1-(2,2-dimethoxyethyl)pyrrolidin-3-amine (PubChem CID 66222555) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
PubChem CID66222555
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
SMILESCOC(CN1CCC(N)C1)OC
InChIInChI=1S/C8H18N2O2/c1-11-8(12-2)6-10-4-3-7(9)5-10/h7-8H,3-6,9H2,1-2H3
InChIKeyIRMHWKVFAABKMC-UHFFFAOYSA-N
XLogP-0.36
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.36
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)piperidin-4-amine
CID 66221486
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
(2S)-1-(3-aminopyrrolidin-1-yl)propan-2-ol
CID 103840761
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1-(2,2-dimethoxyethyl)-N,N-diethylpyrrolidin-3-amine
CID 66223207
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
CID 112626536
3-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-ol
CID 104881569
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
(3S)-1-ethylpyrrolidin-3-amine
CID 10678211
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine (CID 66222555) is 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine is COC(CN1CCC(N)C1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine?
The InChIKey is IRMHWKVFAABKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-11-8(12-2)6-10-4-3-7(9)5-10/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethyl)pyrrolidin-3-amine?
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine has a molecular weight of 174.24 g/mol, XLogP of -0.36, 4 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-amine is sourced from PubChem (CID 66222555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).