4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine

C9H16N2 — CID 19069764

IUPAC4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine
SMILESCC1(N)CCC=C2CNCC21
InChIInChI=1S/C9H16N2/c1-9(10)4-2-3-7-5-11-6-8(7)9/h3,8,11H,2,4-6,10H2,1H3
InChIKeyDOYQNAGMWNDBDG-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.64
Rot. Bonds

About 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine

4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine (PubChem CID 19069764) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine.

Molecular Properties

Compound Name4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine
PubChem CID19069764
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine
SMILESCC1(N)CCC=C2CNCC21
InChIInChI=1S/C9H16N2/c1-9(10)4-2-3-7-5-11-6-8(7)9/h3,8,11H,2,4-6,10H2,1H3
InChIKeyDOYQNAGMWNDBDG-UHFFFAOYSA-N
XLogP0.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 66924633
(8R,9R,10R,13R)-13-methyl-1,2,3,6,7,8,9,10,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene
CID 141158398
4-(3-cyclopropylphenyl)-3-methylpyrrolidin-3-amine
CID 165468446
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
11-methyltricyclo[5.4.0.02,11]undec-7-en-3-one
CID 14017052
3-methyl-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 165468437
2,3,5,5-tetramethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol
CID 20531512
(3R,4R)-4-amino-4-methylpiperidin-3-ol
CID 118248932
(3S,4R)-3-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 165476719
2,5-dimethyl-3H-furan-2-amine
CID 66616310
1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanol
CID 90738720
(3R,4S)-4-(2,5-difluoro-4-methylphenyl)-3-methylpyrrolidin-3-amine
CID 178199865

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine?
The IUPAC name of 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine (CID 19069764) is 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine.
What is the SMILES notation for 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine?
The canonical SMILES for 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine is CC1(N)CCC=C2CNCC21.
What is the InChIKey of 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine?
The InChIKey is DOYQNAGMWNDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(10)4-2-3-7-5-11-6-8(7)9/h3,8,11H,2,4-6,10H2,1H3.
What are the key properties of 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine?
4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine has a molecular weight of 152.24 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,3a,5,6-hexahydroisoindol-4-amine is sourced from PubChem (CID 19069764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).