3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine

C15H31N3O — CID 55158969

IUPAC3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-2-19-13-5-7-16-8-12-17-11-6-15(14-17)18-9-3-4-10-18/h15-16H,2-14H2,1H3
InChIKeyBHOZYBADBZTCNC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds9

About 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine

3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine (PubChem CID 55158969) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
PubChem CID55158969
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-2-19-13-5-7-16-8-12-17-11-6-15(14-17)18-9-3-4-10-18/h15-16H,2-14H2,1H3
InChIKeyBHOZYBADBZTCNC-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
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-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 63167841
3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 63167922
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 55158579
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619835
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-(2-methoxyethyl)ethanamine
CID 55165795
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine (CID 55158969) is 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine is CCOCCCNCCN1CCC(N2CCCC2)C1.
What is the InChIKey of 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
The InChIKey is BHOZYBADBZTCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-19-13-5-7-16-8-12-17-11-6-15(14-17)18-9-3-4-10-18/h15-16H,2-14H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 55158969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).