N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine

C15H31N3O — CID 55158579

IUPACN-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
SMILESCOCCNCCCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-19-13-8-16-7-2-3-9-17-12-6-15(14-17)18-10-4-5-11-18/h15-16H,2-14H2,1H3
InChIKeyFNYUZOGOONRNRR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds9

About N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine

N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine (PubChem CID 55158579) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
PubChem CID55158579
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
SMILESCOCCNCCCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H31N3O/c1-19-13-8-16-7-2-3-9-17-12-6-15(14-17)18-10-4-5-11-18/h15-16H,2-14H2,1H3
InChIKeyFNYUZOGOONRNRR-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

3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 63167922
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
4-ethoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 63167841
3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 55158969
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
2-(4-methoxybutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115277631
2-(5-methoxypentyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114129851
4-(3,4-dimethoxypyrrolidin-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 103540134
N-(2-methoxyethyl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 66371612
2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine (CID 55158579) is N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine is COCCNCCCCN1CCC(N2CCCC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is FNYUZOGOONRNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-19-13-8-16-7-2-3-9-17-12-6-15(14-17)18-10-4-5-11-18/h15-16H,2-14H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-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 N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 55158579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).