1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine

C9H22N2O — CID 175162550

IUPAC1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine
SMILESCCN1CC(C)C(O)C1.CNC
InChIInChI=1S/C7H15NO.C2H7N/c1-3-8-4-6(2)7(9)5-8;1-3-2/h6-7,9H,3-5H2,1-2H3;3H,1-2H3
InChIKeyDWNQWUDLXDIECJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.15
Rot. Bonds1

About 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine

1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine (PubChem CID 175162550) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine.

Molecular Properties

Compound Name1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine
PubChem CID175162550
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine
SMILESCCN1CC(C)C(O)C1.CNC
InChIInChI=1S/C7H15NO.C2H7N/c1-3-8-4-6(2)7(9)5-8;1-3-2/h6-7,9H,3-5H2,1-2H3;3H,1-2H3
InChIKeyDWNQWUDLXDIECJ-UHFFFAOYSA-N
XLogP0.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethyl-3,4-dimethylpyrrolidine
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1-ethylazetidin-3-ol;hydrochloride
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4-(3-hydroxy-4-methylpyrrolidin-1-yl)butan-2-one
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N,1-diethyl-4-methylpyrrolidin-3-amine
CID 130635246
1-(2-cyclopentylethyl)-4-methylpyrrolidin-3-ol
CID 127008901
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
benzene;1-ethyl-3-methylazetidine
CID 178088401
(3S,4R)-1-ethyl-4-hydroxypyrrolidine-3-carbonitrile
CID 118913281
ethane;1-ethyl-4-methoxypyrrolidin-3-ol
CID 176573528
(3S,4S)-4-(butylamino)-1-ethylpyrrolidin-3-ol
CID 54288486
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine?
The IUPAC name of 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine (CID 175162550) is 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine.
What is the SMILES notation for 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine?
The canonical SMILES for 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine is CCN1CC(C)C(O)C1.CNC.
What is the InChIKey of 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine?
The InChIKey is DWNQWUDLXDIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H7N/c1-3-8-4-6(2)7(9)5-8;1-3-2/h6-7,9H,3-5H2,1-2H3;3H,1-2H3.
What are the key properties of 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine?
1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine has a molecular weight of 174.29 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine is sourced from PubChem (CID 175162550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).