N-ethyl-2-piperidin-1-ylethanamine

C9H20N2 — CID 18753007

IUPACN-ethyl-2-piperidin-1-ylethanamine
SMILESCCNCCN1CCCCC1
InChIInChI=1S/C9H20N2/c1-2-10-6-9-11-7-4-3-5-8-11/h10H,2-9H2,1H3
InChIKeyXUHUOUMBXWRQQH-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds4

About N-ethyl-2-piperidin-1-ylethanamine

N-ethyl-2-piperidin-1-ylethanamine (PubChem CID 18753007) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-ethyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-piperidin-1-ylethanamine
PubChem CID18753007
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-ethyl-2-piperidin-1-ylethanamine
SMILESCCNCCN1CCCCC1
InChIInChI=1S/C9H20N2/c1-2-10-6-9-11-7-4-3-5-8-11/h10H,2-9H2,1H3
InChIKeyXUHUOUMBXWRQQH-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperidin-1-ylethanamine?
The IUPAC name of N-ethyl-2-piperidin-1-ylethanamine (CID 18753007) is N-ethyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-ethyl-2-piperidin-1-ylethanamine?
The canonical SMILES for N-ethyl-2-piperidin-1-ylethanamine is CCNCCN1CCCCC1.
What is the InChIKey of N-ethyl-2-piperidin-1-ylethanamine?
The InChIKey is XUHUOUMBXWRQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-10-6-9-11-7-4-3-5-8-11/h10H,2-9H2,1H3.
What are the key properties of N-ethyl-2-piperidin-1-ylethanamine?
N-ethyl-2-piperidin-1-ylethanamine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 18753007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).