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

C13H24N2O — CID 83033076

IUPACN-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1(C)CC(NC2=NCCCCC2)CCO1
InChIInChI=1S/C13H24N2O/c1-13(2)10-11(7-9-16-13)15-12-6-4-3-5-8-14-12/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyQMNFKTKYCSCBTN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.51
Rot. Bonds1

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

N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 83033076) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID83033076
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC1(C)CC(NC2=NCCCCC2)CCO1
InChIInChI=1S/C13H24N2O/c1-13(2)10-11(7-9-16-13)15-12-6-4-3-5-8-14-12/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyQMNFKTKYCSCBTN-UHFFFAOYSA-N
XLogP2.51
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 83033076) is N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC1(C)CC(NC2=NCCCCC2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is QMNFKTKYCSCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)10-11(7-9-16-13)15-12-6-4-3-5-8-14-12/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 224.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 83033076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).