(3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine

C9H20N2O — CID 143197801

IUPAC(3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine
SMILESCCOCCN[C@@H]1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-3-12-7-5-10-9-4-6-11(2)8-9/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXLYZTLANYWHNKH-SECBINFHSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds5

About (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine

(3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine (PubChem CID 143197801) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine
PubChem CID143197801
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine
SMILESCCOCCN[C@@H]1CCN(C)C1
InChIInChI=1S/C9H20N2O/c1-3-12-7-5-10-9-4-6-11(2)8-9/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXLYZTLANYWHNKH-SECBINFHSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(Pyrrolidin-2-ylmethyl)morpholine
CID 4715221
4-(Pyrrolidin-3-yl)morpholine
CID 14627373
(2-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
1-(2-Methoxyethyl)pyrrolidin-3-amine
CID 20800284
4-(Pyrrolidin-3-yl)morpholine dihydrochloride
CID 53409900
4-(Pyrrolidin-3-yl)-1,4-oxazepane
CID 62989035
Morpholine, 4-(4-methyl-3-pyrrolidinyl)-
CID 73994640
rac-(3R,4R)-4-methoxy-1-methylpyrrolidin-3-amine
CID 75531171
rac-4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine,cis
CID 99868085
(S)-4-(pyrrolidin-2-ylmethyl)morpholine
CID 7141612
4-(3S)-3-Pyrrolidinyl-morpholine
CID 7176276
4-(Pyrrolidin-3-yl)morpholine hydrochloride
CID 53442929

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine (CID 143197801) is (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine is CCOCCN[C@@H]1CCN(C)C1.
What is the InChIKey of (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is XLYZTLANYWHNKH-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-12-7-5-10-9-4-6-11(2)8-9/h9-10H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine?
(3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-ethoxyethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 143197801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).