1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine

C15H31N3O — CID 163451495

IUPAC1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
SMILESCCC1CCN(CCOCCN2CCC(N)C2)CC1
InChIInChI=1S/C15H31N3O/c1-2-14-3-6-17(7-4-14)9-11-19-12-10-18-8-5-15(16)13-18/h14-15H,2-13,16H2,1H3
InChIKeyDSVXQKVNCCEKPC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.16
Rot. Bonds7

About 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine

1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine (PubChem CID 163451495) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
PubChem CID163451495
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
SMILESCCC1CCN(CCOCCN2CCC(N)C2)CC1
InChIInChI=1S/C15H31N3O/c1-2-14-3-6-17(7-4-14)9-11-19-12-10-18-8-5-15(16)13-18/h14-15H,2-13,16H2,1H3
InChIKeyDSVXQKVNCCEKPC-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.16
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

1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine (CID 163451495) is 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine is CCC1CCN(CCOCCN2CCC(N)C2)CC1.
What is the InChIKey of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine?
The InChIKey is DSVXQKVNCCEKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-14-3-6-17(7-4-14)9-11-19-12-10-18-8-5-15(16)13-18/h14-15H,2-13,16H2,1H3.
What are the key properties of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine?
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine has a molecular weight of 269.43 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 163451495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).