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

C10H19N3O — CID 83021701

IUPACN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine
SMILESC1CCN=C(NN2CCOCC2)CC1
InChIInChI=1S/C10H19N3O/c1-2-4-10(11-5-3-1)12-13-6-8-14-9-7-13/h1-9H2,(H,11,12)
InChIKeyBMYAPGMIWNTIKT-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.80
Rot. Bonds1

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

N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine (PubChem CID 83021701) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine
PubChem CID83021701
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine
SMILESC1CCN=C(NN2CCOCC2)CC1
InChIInChI=1S/C10H19N3O/c1-2-4-10(11-5-3-1)12-13-6-8-14-9-7-13/h1-9H2,(H,11,12)
InChIKeyBMYAPGMIWNTIKT-UHFFFAOYSA-N
XLogP0.80
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine?
The IUPAC name of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine (CID 83021701) is N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine.
What is the SMILES notation for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine?
The canonical SMILES for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine is C1CCN=C(NN2CCOCC2)CC1.
What is the InChIKey of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine?
The InChIKey is BMYAPGMIWNTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-4-10(11-5-3-1)12-13-6-8-14-9-7-13/h1-9H2,(H,11,12).
What are the key properties of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine?
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine has a molecular weight of 197.28 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine is sourced from PubChem (CID 83021701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).