2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C12H23N3O — CID 19369274

IUPAC2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(CCN2CCOCC2)CCCC1
InChIInChI=1S/C12H23N3O/c13-12-4-2-1-3-11(14-12)5-6-15-7-9-16-10-8-15/h11H,1-10H2,(H2,13,14)
InChIKeyUPTZRUOYOAVYBA-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 19369274) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID19369274
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(CCN2CCOCC2)CCCC1
InChIInChI=1S/C12H23N3O/c13-12-4-2-1-3-11(14-12)5-6-15-7-9-16-10-8-15/h11H,1-10H2,(H2,13,14)
InChIKeyUPTZRUOYOAVYBA-UHFFFAOYSA-N
XLogP1.01
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 19369274) is 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is NC1=NC(CCN2CCOCC2)CCCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is UPTZRUOYOAVYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12-4-2-1-3-11(14-12)5-6-15-7-9-16-10-8-15/h11H,1-10H2,(H2,13,14).
What are the key properties of 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 225.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 19369274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).