4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine

C9H18N2 — CID 82416478

IUPAC4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
SMILESCN1CCNC2CCCC2C1
InChIInChI=1S/C9H18N2/c1-11-6-5-10-9-4-2-3-8(9)7-11/h8-10H,2-7H2,1H3
InChIKeyYGBFBHXQXLQYGQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds

About 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine

4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine (PubChem CID 82416478) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine.

Molecular Properties

Compound Name4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
PubChem CID82416478
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
SMILESCN1CCNC2CCCC2C1
InChIInChI=1S/C9H18N2/c1-11-6-5-10-9-4-2-3-8(9)7-11/h8-10H,2-7H2,1H3
InChIKeyYGBFBHXQXLQYGQ-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 144987626
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7-methyl-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine
CID 83479743
3-(1-methylpiperidin-3-yl)morpholine
CID 82406439
10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098921
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
ethane;10-methyl-10-azatricyclo[6.4.1.04,13]tridecane
CID 145098920
3-(1-methylpyrrolidin-3-yl)piperidine
CID 82413007
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine?
The IUPAC name of 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine (CID 82416478) is 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine.
What is the SMILES notation for 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine?
The canonical SMILES for 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine is CN1CCNC2CCCC2C1.
What is the InChIKey of 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine?
The InChIKey is YGBFBHXQXLQYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-6-5-10-9-4-2-3-8(9)7-11/h8-10H,2-7H2,1H3.
What are the key properties of 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine?
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine has a molecular weight of 154.26 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine is sourced from PubChem (CID 82416478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).