6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine

C12H19N3O2 — CID 145198368

IUPAC6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine
SMILESNC1=CC=C(OCCN2CCOCC2)C=NC1
InChIInChI=1S/C12H19N3O2/c13-11-1-2-12(10-14-9-11)17-8-5-15-3-6-16-7-4-15/h1-2,10H,3-9,13H2
InChIKeyIVPDQEZMPLCMMG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.15
Rot. Bonds4

About 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine

6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine (PubChem CID 145198368) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine
PubChem CID145198368
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine
SMILESNC1=CC=C(OCCN2CCOCC2)C=NC1
InChIInChI=1S/C12H19N3O2/c13-11-1-2-12(10-14-9-11)17-8-5-15-3-6-16-7-4-15/h1-2,10H,3-9,13H2
InChIKeyIVPDQEZMPLCMMG-UHFFFAOYSA-N
XLogP0.15
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine
CID 164736823
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049314
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 154327108
4-[2-(2-chloro-5-iodophenoxy)ethyl]morpholine
CID 122524434
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195

Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine?
The IUPAC name of 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine (CID 145198368) is 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine.
What is the SMILES notation for 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine?
The canonical SMILES for 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine is NC1=CC=C(OCCN2CCOCC2)C=NC1.
What is the InChIKey of 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine?
The InChIKey is IVPDQEZMPLCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-11-1-2-12(10-14-9-11)17-8-5-15-3-6-16-7-4-15/h1-2,10H,3-9,13H2.
What are the key properties of 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine?
6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine has a molecular weight of 237.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethoxy)-2H-azepin-3-amine is sourced from PubChem (CID 145198368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).