2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine

C14H29N3 — CID 114015284

IUPAC2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCN1CCCCC1CCN1CCC(CCN)C1
InChIInChI=1S/C14H29N3/c1-16-9-3-2-4-14(16)7-11-17-10-6-13(12-17)5-8-15/h13-14H,2-12,15H2,1H3
InChIKeyXJRZXCADAZMWAD-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds5

About 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine

2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 114015284) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID114015284
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCN1CCCCC1CCN1CCC(CCN)C1
InChIInChI=1S/C14H29N3/c1-16-9-3-2-4-14(16)7-11-17-10-6-13(12-17)5-8-15/h13-14H,2-12,15H2,1H3
InChIKeyXJRZXCADAZMWAD-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
2-[(3R)-1-propylpyrrolidin-3-yl]ethanamine
CID 86324396
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-yl]methanamine
CID 55176250
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 107912652
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one
CID 107912283
[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine
CID 80505748
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 107912651

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine (CID 114015284) is 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine is CN1CCCCC1CCN1CCC(CCN)C1.
What is the InChIKey of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is XJRZXCADAZMWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16-9-3-2-4-14(16)7-11-17-10-6-13(12-17)5-8-15/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine?
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114015284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).