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

C11H21N3O — CID 18800632

IUPAC2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(CN2CCOCC2)CCCC1
InChIInChI=1S/C11H21N3O/c12-11-4-2-1-3-10(13-11)9-14-5-7-15-8-6-14/h10H,1-9H2,(H2,12,13)
InChIKeyZTKUBSVFERYUCU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.62
Rot. Bonds2

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

2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 18800632) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID18800632
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NC(CN2CCOCC2)CCCC1
InChIInChI=1S/C11H21N3O/c12-11-4-2-1-3-10(13-11)9-14-5-7-15-8-6-14/h10H,1-9H2,(H2,12,13)
InChIKeyZTKUBSVFERYUCU-UHFFFAOYSA-N
XLogP0.62
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 18800632) is 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is NC1=NC(CN2CCOCC2)CCCC1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is ZTKUBSVFERYUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-11-4-2-1-3-10(13-11)9-14-5-7-15-8-6-14/h10H,1-9H2,(H2,12,13).
What are the key properties of 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 211.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 18800632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).