1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine

C9H20N2O — CID 54533123

IUPAC1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCCOC1CNCC1CN(C)C
InChIInChI=1S/C9H20N2O/c1-4-12-9-6-10-5-8(9)7-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyLUGOYMKTZMCSDF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.17
Rot. Bonds4

About 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine

1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 54533123) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
PubChem CID54533123
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCCOC1CNCC1CN(C)C
InChIInChI=1S/C9H20N2O/c1-4-12-9-6-10-5-8(9)7-11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyLUGOYMKTZMCSDF-UHFFFAOYSA-N
XLogP0.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanamine
CID 17389974
4-[(Pyrrolidin-3-yl)methyl]morpholine
CID 14627371
Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanamine
CID 17389989
(3S)-3-(tert-butoxy)pyrrolidine hydrochloride
CID 68546414
4-{[(3R)-pyrrolidin-3-yl]methyl}morpholine
CID 86311657
4-{[(3S)-pyrrolidin-3-yl]methyl}morpholine
CID 86311659
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
3-(2-Methylpropoxy)pyrrolidine hydrochloride
CID 71756041
9-Methyl-6-oxa-2,9-diazaspiro[4.5]decane dihydrochloride
CID 75530777
(3R)-3-(3-methylbutoxy)pyrrolidine hydrochloride
CID 134690945
4-Ethoxy-3,3-dimethylpyrrolidine hydrochloride
CID 177800563

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine (CID 54533123) is 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine is CCOC1CNCC1CN(C)C.
What is the InChIKey of 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is LUGOYMKTZMCSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-12-9-6-10-5-8(9)7-11(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine?
1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypyrrolidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 54533123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).