2-(azepan-3-yl)azocane

C13H26N2 — CID 134601740

IUPAC2-(azepan-3-yl)azocane
SMILESC1CCCC(C2CCCCNC2)NCC1
InChIInChI=1S/C13H26N2/c1-2-5-10-15-13(8-3-1)12-7-4-6-9-14-11-12/h12-15H,1-11H2
InChIKeyHCBFOICINULMGI-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.30
Rot. Bonds1

About 2-(azepan-3-yl)azocane

2-(azepan-3-yl)azocane (PubChem CID 134601740) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(azepan-3-yl)azocane.

Molecular Properties

Compound Name2-(azepan-3-yl)azocane
PubChem CID134601740
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-(azepan-3-yl)azocane
SMILESC1CCCC(C2CCCCNC2)NCC1
InChIInChI=1S/C13H26N2/c1-2-5-10-15-13(8-3-1)12-7-4-6-9-14-11-12/h12-15H,1-11H2
InChIKeyHCBFOICINULMGI-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(azepan-3-yl)azocane 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

N'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
CID 44288500
2-(Piperidin-3-yl)azepane
CID 16740519
N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
CID 487178
8-Azabicyclo octane
CID 19706164
2-Azabicycloheptane
CID 19854924
2-Azabicyclo[3.3.2]decane
CID 22279968
5-Methyl-2-(propan-2-yl)azepane
CID 300307
(2R)-2-[(2R)-butan-2-yl]azepane
CID 92208703
(2R)-2-[(2S)-butan-2-yl]azepane
CID 92208704
Hexahydro-4-methyl-2-propyl-1H-azepine
CID 129808942
(4R,7S)-2,4-dimethyl-7-propan-2-ylazepane
CID 130888278
2-(Azepan-2-yl)-2-fluorobutan-1-amine
CID 112566072

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-3-yl)azocane?
The IUPAC name of 2-(azepan-3-yl)azocane (CID 134601740) is 2-(azepan-3-yl)azocane.
What is the SMILES notation for 2-(azepan-3-yl)azocane?
The canonical SMILES for 2-(azepan-3-yl)azocane is C1CCCC(C2CCCCNC2)NCC1.
What is the InChIKey of 2-(azepan-3-yl)azocane?
The InChIKey is HCBFOICINULMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-5-10-15-13(8-3-1)12-7-4-6-9-14-11-12/h12-15H,1-11H2.
What are the key properties of 2-(azepan-3-yl)azocane?
2-(azepan-3-yl)azocane has a molecular weight of 210.36 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-3-yl)azocane is sourced from PubChem (CID 134601740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).