1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine

C8H16N2 — CID 66851093

IUPAC1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
SMILESC1CNC2CCCC2NC1
InChIInChI=1S/C8H16N2/c1-3-7-8(4-1)10-6-2-5-9-7/h7-10H,1-6H2
InChIKeyZEYLCXHQMKGZCD-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.49
Rot. Bonds

About 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine

1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine (PubChem CID 66851093) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine.

Molecular Properties

Compound Name1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
PubChem CID66851093
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
SMILESC1CNC2CCCC2NC1
InChIInChI=1S/C8H16N2/c1-3-7-8(4-1)10-6-2-5-9-7/h7-10H,1-6H2
InChIKeyZEYLCXHQMKGZCD-UHFFFAOYSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12014113
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
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CID 14810994
(1S,14S)-2,6,9,13-tetrazabicyclo[12.4.0]octadecane
CID 15872638
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
2-(1,5,9-triazacyclododec-2-yl)-1,5,9,13-tetrazacyclohexadecane
CID 139317995
2-pyrrolidin-2-ylpiperazine
CID 163488411
2-cyclopentylpyrrolidine
CID 4031549
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CID 92720077
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine?
The IUPAC name of 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine (CID 66851093) is 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine.
What is the SMILES notation for 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine?
The canonical SMILES for 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine is C1CNC2CCCC2NC1.
What is the InChIKey of 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine?
The InChIKey is ZEYLCXHQMKGZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-7-8(4-1)10-6-2-5-9-7/h7-10H,1-6H2.
What are the key properties of 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine?
1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine has a molecular weight of 140.23 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine is sourced from PubChem (CID 66851093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).