N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine

C13H21N3 — CID 143193243

IUPACN-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine
SMILESCCN1CCC(NC2=CCC=CC=N2)CC1
InChIInChI=1S/C13H21N3/c1-2-16-10-7-12(8-11-16)15-13-6-4-3-5-9-14-13/h3,5-6,9,12,15H,2,4,7-8,10-11H2,1H3
InChIKeyMLWMWSUKJCLECF-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.93
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine

N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine (PubChem CID 143193243) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine
PubChem CID143193243
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine
SMILESCCN1CCC(NC2=CCC=CC=N2)CC1
InChIInChI=1S/C13H21N3/c1-2-16-10-7-12(8-11-16)15-13-6-4-3-5-9-14-13/h3,5-6,9,12,15H,2,4,7-8,10-11H2,1H3
InChIKeyMLWMWSUKJCLECF-UHFFFAOYSA-N
XLogP1.93
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,3-dihydropyridin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 44581277
6-Methyl-4-(piperidin-1-ylmethyl)-1,2-dihydropyrimidine
CID 118486713
2-piperidin-1-yl-4H-azepine
CID 134292058
1-(6,6-Dimethylazepin-2-yl)piperidin-4-amine
CID 170244555
(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
N-methyl-1-[(Z)-1-[(Z)-[(E)-2-(methylamino)but-2-enylidene]amino]but-1-enyl]-N-propan-2-ylpiperidin-4-amine
CID 156711990
N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine
CID 169104018

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine (CID 143193243) is N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine is CCN1CCC(NC2=CCC=CC=N2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine?
The InChIKey is MLWMWSUKJCLECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16-10-7-12(8-11-16)15-13-6-4-3-5-9-14-13/h3,5-6,9,12,15H,2,4,7-8,10-11H2,1H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine?
N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine is sourced from PubChem (CID 143193243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).