2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

C13H27N3 — CID 115208430

IUPAC2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCN1CCCC(CCNCC2CCCN2)C1
InChIInChI=1S/C13H27N3/c1-16-9-3-4-12(11-16)6-8-14-10-13-5-2-7-15-13/h12-15H,2-11H2,1H3
InChIKeyXESXWTYPIJFCJI-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.06
Rot. Bonds5

About 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine

2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 115208430) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID115208430
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCN1CCCC(CCNCC2CCCN2)C1
InChIInChI=1S/C13H27N3/c1-16-9-3-4-12(11-16)6-8-14-10-13-5-2-7-15-13/h12-15H,2-11H2,1H3
InChIKeyXESXWTYPIJFCJI-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylpiperidin-3-yl)-N-(2-morpholin-3-ylethyl)ethanamine
CID 115239031
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210457
1-methyl-N-(2-pyrrolidin-2-ylethyl)piperidin-3-amine
CID 115210185
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
N-methyl-2-(1-methylpiperidin-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209441
N-(cyclobutylmethyl)-2-piperidin-2-ylethanamine
CID 115211136
1-(1-methylpiperidin-4-yl)-N-(piperidin-2-ylmethyl)methanamine
CID 106633809
3-pyrrolidin-1-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636609
2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633956
N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79538653

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 115208430) is 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is CN1CCCC(CCNCC2CCCN2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is XESXWTYPIJFCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-16-9-3-4-12(11-16)6-8-14-10-13-5-2-7-15-13/h12-15H,2-11H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115208430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).