1-benzyl-N-ethoxypyrrolidin-3-amine

C13H20N2O — CID 82709325

IUPAC1-benzyl-N-ethoxypyrrolidin-3-amine
SMILESCCONC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c1-2-16-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyIDGHUNKMOMVHPA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds5

About 1-benzyl-N-ethoxypyrrolidin-3-amine

1-benzyl-N-ethoxypyrrolidin-3-amine (PubChem CID 82709325) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-benzyl-N-ethoxypyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-ethoxypyrrolidin-3-amine
PubChem CID82709325
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-benzyl-N-ethoxypyrrolidin-3-amine
SMILESCCONC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C13H20N2O/c1-2-16-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyIDGHUNKMOMVHPA-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
CID 82712792
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
1-benzyl-N-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43085353
1-benzyl-N-(1-methylcyclopropyl)pyrrolidin-3-amine
CID 162433803
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-benzyl-N-pent-3-ynylpyrrolidin-3-amine
CID 116642852
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethoxypyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-ethoxypyrrolidin-3-amine (CID 82709325) is 1-benzyl-N-ethoxypyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-ethoxypyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-ethoxypyrrolidin-3-amine is CCONC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-ethoxypyrrolidin-3-amine?
The InChIKey is IDGHUNKMOMVHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-16-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of 1-benzyl-N-ethoxypyrrolidin-3-amine?
1-benzyl-N-ethoxypyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethoxypyrrolidin-3-amine is sourced from PubChem (CID 82709325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).