1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol

C14H28N2O — CID 114496659

IUPAC1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CC2CCCC(N)C2C1
InChIInChI=1S/C14H28N2O/c1-10(2)14(3,17)9-16-7-11-5-4-6-13(15)12(11)8-16/h10-13,17H,4-9,15H2,1-3H3
InChIKeyDIWITKPZQZINBA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.45
Rot. Bonds3

About 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol

1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol (PubChem CID 114496659) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol
PubChem CID114496659
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CN1CC2CCCC(N)C2C1
InChIInChI=1S/C14H28N2O/c1-10(2)14(3,17)9-16-7-11-5-4-6-13(15)12(11)8-16/h10-13,17H,4-9,15H2,1-3H3
InChIKeyDIWITKPZQZINBA-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol
CID 114447651
1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114496462
(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 131043306
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
2-(3-methoxy-2,2-dimethylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120844252
2-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120844094
2-ethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-amine
CID 154351427
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 131043305
2-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-1-(azetidin-1-yl)ethanone
CID 113414720
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 113335634
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol (CID 114496659) is 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CN1CC2CCCC(N)C2C1.
What is the InChIKey of 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is DIWITKPZQZINBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)14(3,17)9-16-7-11-5-4-6-13(15)12(11)8-16/h10-13,17H,4-9,15H2,1-3H3.
What are the key properties of 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol?
1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114496659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).