N-ethenoxy-2-piperidin-1-ylethanamine

C9H18N2O — CID 20598182

IUPACN-ethenoxy-2-piperidin-1-ylethanamine
SMILESC=CONCCN1CCCCC1
InChIInChI=1S/C9H18N2O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h2,10H,1,3-9H2
InChIKeySTHLTFBQUSRRBI-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.14
Rot. Bonds5

About N-ethenoxy-2-piperidin-1-ylethanamine

N-ethenoxy-2-piperidin-1-ylethanamine (PubChem CID 20598182) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-ethenoxy-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-ethenoxy-2-piperidin-1-ylethanamine
PubChem CID20598182
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-ethenoxy-2-piperidin-1-ylethanamine
SMILESC=CONCCN1CCCCC1
InChIInChI=1S/C9H18N2O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h2,10H,1,3-9H2
InChIKeySTHLTFBQUSRRBI-UHFFFAOYSA-N
XLogP1.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-(2-pyrrolidin-1-ylethyl)but-3-en-2-amine
CID 107906914
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
2-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 103019916
2-pyrrolidin-1-ylethylhydrazine
CID 3031556
N-cyclopentyloxy-2-pyrrolidin-1-ylethanamine
CID 107911874
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
1-(prop-2-enoxymethyl)piperidine
CID 14644958
N-(2-piperidin-1-ylethyl)pent-4-enethioamide
CID 88620028
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
N-(2-bromoethyl)-2-piperidin-1-ylethanamine
CID 46738415

Frequently Asked Questions

What is the IUPAC name of N-ethenoxy-2-piperidin-1-ylethanamine?
The IUPAC name of N-ethenoxy-2-piperidin-1-ylethanamine (CID 20598182) is N-ethenoxy-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-ethenoxy-2-piperidin-1-ylethanamine?
The canonical SMILES for N-ethenoxy-2-piperidin-1-ylethanamine is C=CONCCN1CCCCC1.
What is the InChIKey of N-ethenoxy-2-piperidin-1-ylethanamine?
The InChIKey is STHLTFBQUSRRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-12-10-6-9-11-7-4-3-5-8-11/h2,10H,1,3-9H2.
What are the key properties of N-ethenoxy-2-piperidin-1-ylethanamine?
N-ethenoxy-2-piperidin-1-ylethanamine has a molecular weight of 170.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenoxy-2-piperidin-1-ylethanamine is sourced from PubChem (CID 20598182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).