3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine

C11H25N3O — CID 81059404

IUPAC3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCCOCCN(C)C1(CN)CCN(C)C1
InChIInChI=1S/C11H25N3O/c1-4-15-8-7-14(3)11(9-12)5-6-13(2)10-11/h4-10,12H2,1-3H3
InChIKeyLHRRYMXNLNZVOT-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.01
Rot. Bonds6

About 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine

3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine (PubChem CID 81059404) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine
PubChem CID81059404
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine
SMILESCCOCCN(C)C1(CN)CCN(C)C1
InChIInChI=1S/C11H25N3O/c1-4-15-8-7-14(3)11(9-12)5-6-13(2)10-11/h4-10,12H2,1-3H3
InChIKeyLHRRYMXNLNZVOT-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
CID 81059601
3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
CID 81035394
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
CID 81059702
3-(aminomethyl)-N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-amine
CID 55175188
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylpyrrolidin-3-amine
CID 62977308
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine
CID 81059608
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429111

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine (CID 81059404) is 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine is CCOCCN(C)C1(CN)CCN(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is LHRRYMXNLNZVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-15-8-7-14(3)11(9-12)5-6-13(2)10-11/h4-10,12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 215.34 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81059404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).