2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine

C10H16N2 — CID 174246085

IUPAC2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine
SMILESCC1Cn2cccc2CCCN1
InChIInChI=1S/C10H16N2/c1-9-8-12-7-3-5-10(12)4-2-6-11-9/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyQCBYUDVZHCDMEX-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.41
Rot. Bonds

About 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine

2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine (PubChem CID 174246085) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine.

Molecular Properties

Compound Name2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine
PubChem CID174246085
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine
SMILESCC1Cn2cccc2CCCN1
InChIInChI=1S/C10H16N2/c1-9-8-12-7-3-5-10(12)4-2-6-11-9/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyQCBYUDVZHCDMEX-UHFFFAOYSA-N
XLogP1.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine 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

1,4,7-triazatricyclo[7.3.0.03,7]dodeca-9,11-diene
CID 118449685
3-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]
CID 141442668
3-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 64944864
(3R)-3-(4-chlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 134962236
1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;oxalic acid
CID 71298527
1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene
CID 57357847
6-methyl-5,6-dihydroindolizine
CID 15529810
3-methyl-1-(2-propan-2-ylphenyl)-1,4-diazocane
CID 117016339
4-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 83672234
3-methyl-1-(4-phenoxyphenyl)-1,4-diazepane
CID 64941712
(3S)-3,7-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 143883663
4-(3-methylpiperazin-1-yl)aniline
CID 23287543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine?
The IUPAC name of 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine (CID 174246085) is 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine.
What is the SMILES notation for 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine?
The canonical SMILES for 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine is CC1Cn2cccc2CCCN1.
What is the InChIKey of 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine?
The InChIKey is QCBYUDVZHCDMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9-8-12-7-3-5-10(12)4-2-6-11-9/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine?
2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine has a molecular weight of 164.25 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2,3,4,5,6-hexahydropyrrolo[1,2-d][1,4]diazocine is sourced from PubChem (CID 174246085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).