N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine

C15H25N3 — CID 169104018

IUPACN-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine
SMILESCCNCCC1=CC=NC(N2CCCCC2)=CC1
InChIInChI=1S/C15H25N3/c1-2-16-10-8-14-6-7-15(17-11-9-14)18-12-4-3-5-13-18/h7,9,11,16H,2-6,8,10,12-13H2,1H3
InChIKeyAPSVFUMORQLCJB-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine

N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine (PubChem CID 169104018) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine
PubChem CID169104018
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine
SMILESCCNCCC1=CC=NC(N2CCCCC2)=CC1
InChIInChI=1S/C15H25N3/c1-2-16-10-8-14-6-7-15(17-11-9-14)18-12-4-3-5-13-18/h7,9,11,16H,2-6,8,10,12-13H2,1H3
InChIKeyAPSVFUMORQLCJB-UHFFFAOYSA-N
XLogP2.71
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-Methylbut-3-enyl)-1,2-dihydropyrimidine
CID 117656514
N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine
CID 143193243
ethane;6-methyl-2-piperidin-1-yl-4H-azepine
CID 143901677
(1Z,4E)-6-imino-1-N,1-N,1-N',4-tetramethyl-1-N'-(1-piperidin-1-ylbut-1-enyl)hexa-1,4-diene-1,1-diamine
CID 169906585
(2Z,4Z)-4-methyl-N-piperidin-2-ylhexa-2,4-dien-1-imine
CID 173560773
(E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine
CID 176689500
6-methyl-2-piperidin-1-yl-4H-azepine
CID 143901678
(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
CID 144598444
(Z,Z)-2-ethyl-N-(1-piperidin-1-ylethenyl)but-2-en-1-imine
CID 144598531
5-methyl-2-piperidin-1-yl-4H-azepine
CID 163366778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine (CID 169104018) is N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine is CCNCCC1=CC=NC(N2CCCCC2)=CC1.
What is the InChIKey of N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine?
The InChIKey is APSVFUMORQLCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-16-10-8-14-6-7-15(17-11-9-14)18-12-4-3-5-13-18/h7,9,11,16H,2-6,8,10,12-13H2,1H3.
What are the key properties of N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine?
N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine is sourced from PubChem (CID 169104018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).