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

C12H24N4O — CID 19369205

IUPACN-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine
SMILESNC1=NC(CCNN2CCOCC2)CCCC1
InChIInChI=1S/C12H24N4O/c13-12-4-2-1-3-11(15-12)5-6-14-16-7-9-17-10-8-16/h11,14H,1-10H2,(H2,13,15)
InChIKeyVTRKJYQXZKWLJM-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.51
Rot. Bonds4

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

N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine (PubChem CID 19369205) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine
PubChem CID19369205
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine
SMILESNC1=NC(CCNN2CCOCC2)CCCC1
InChIInChI=1S/C12H24N4O/c13-12-4-2-1-3-11(15-12)5-6-14-16-7-9-17-10-8-16/h11,14H,1-10H2,(H2,13,15)
InChIKeyVTRKJYQXZKWLJM-UHFFFAOYSA-N
XLogP0.51
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-morpholin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369274
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)morpholin-4-amine
CID 83021701

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine?
The IUPAC name of N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine (CID 19369205) is N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine.
What is the SMILES notation for N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine?
The canonical SMILES for N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine is NC1=NC(CCNN2CCOCC2)CCCC1.
What is the InChIKey of N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine?
The InChIKey is VTRKJYQXZKWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c13-12-4-2-1-3-11(15-12)5-6-14-16-7-9-17-10-8-16/h11,14H,1-10H2,(H2,13,15).
What are the key properties of N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine?
N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine has a molecular weight of 240.35 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]morpholin-4-amine is sourced from PubChem (CID 19369205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).