1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine

C11H23N3 — CID 130831685

IUPAC1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC2CNCC2C1
InChIInChI=1S/C11H23N3/c1-11(2,12)8-14-4-3-9-5-13-6-10(9)7-14/h9-10,13H,3-8,12H2,1-2H3
InChIKeyNBJMWDOJCPJFBG-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.26
Rot. Bonds2

About 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine

1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine (PubChem CID 130831685) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine
PubChem CID130831685
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCC2CNCC2C1
InChIInChI=1S/C11H23N3/c1-11(2,12)8-14-4-3-9-5-13-6-10(9)7-14/h9-10,13H,3-8,12H2,1-2H3
InChIKeyNBJMWDOJCPJFBG-UHFFFAOYSA-N
XLogP0.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylpropan-2-amine
CID 61267047
6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane
CID 166478789
5-(2,2-dimethylpropyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 58474347
(3aS,7aS)-5-(cyclopropylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 124910290
5-(2-methylbutyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130578117
2-methyl-1-[4-(oxolan-2-yl)piperidin-1-yl]propan-2-amine;hydrochloride
CID 120848598
1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-methylpropan-2-amine
CID 130646527
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylbutan-2-amine
CID 79811389
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol
CID 114447651
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpropan-2-amine
CID 63151224
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-2-amine
CID 79942935

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine (CID 130831685) is 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine is CC(C)(N)CN1CCC2CNCC2C1.
What is the InChIKey of 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine?
The InChIKey is NBJMWDOJCPJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,12)8-14-4-3-9-5-13-6-10(9)7-14/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine?
1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine has a molecular weight of 197.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 130831685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).