5-(azepan-3-yl)-1,4-diazepane

C11H23N3 — CID 134482589

IUPAC5-(azepan-3-yl)-1,4-diazepane
SMILESC1CCC(C2CCNCCN2)CNC1
InChIInChI=1S/C11H23N3/c1-2-5-13-9-10(3-1)11-4-6-12-7-8-14-11/h10-14H,1-9H2
InChIKeyJPSDNARIBNGZKC-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.33
Rot. Bonds1

About 5-(azepan-3-yl)-1,4-diazepane

5-(azepan-3-yl)-1,4-diazepane (PubChem CID 134482589) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-(azepan-3-yl)-1,4-diazepane.

Molecular Properties

Compound Name5-(azepan-3-yl)-1,4-diazepane
PubChem CID134482589
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name5-(azepan-3-yl)-1,4-diazepane
SMILESC1CCC(C2CCNCCN2)CNC1
InChIInChI=1S/C11H23N3/c1-2-5-13-9-10(3-1)11-4-6-12-7-8-14-11/h10-14H,1-9H2
InChIKeyJPSDNARIBNGZKC-UHFFFAOYSA-N
XLogP0.33
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82416494
(3R)-3-[(2R)-pyrrolidin-2-yl]piperidine
CID 40566318
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 82418792
2-cyclohexylpiperazine;piperazine
CID 22400875
2-cyclohexylpiperazine
CID 13489550
2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-pyrido[3,4-b]azepine
CID 23282830
2-[8-(1,4,7-triazonan-2-yl)-1,5,9-triazacyclododec-2-yl]-1,4,7,10-tetrazacyclododecane
CID 126552740
2-cyclohexylpiperazine;hydrochloride
CID 156699610
3,7-diazabicyclo[4.2.0]octane
CID 23282823
4,8-diazabicyclo[5.2.0]nonane
CID 122671923
2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-3-yl)-1,4-diazepane?
The IUPAC name of 5-(azepan-3-yl)-1,4-diazepane (CID 134482589) is 5-(azepan-3-yl)-1,4-diazepane.
What is the SMILES notation for 5-(azepan-3-yl)-1,4-diazepane?
The canonical SMILES for 5-(azepan-3-yl)-1,4-diazepane is C1CCC(C2CCNCCN2)CNC1.
What is the InChIKey of 5-(azepan-3-yl)-1,4-diazepane?
The InChIKey is JPSDNARIBNGZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-2-5-13-9-10(3-1)11-4-6-12-7-8-14-11/h10-14H,1-9H2.
What are the key properties of 5-(azepan-3-yl)-1,4-diazepane?
5-(azepan-3-yl)-1,4-diazepane has a molecular weight of 197.33 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-3-yl)-1,4-diazepane is sourced from PubChem (CID 134482589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).