(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

C11H22N2 — CID 155648643

IUPAC(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCC(C)N1CC2CC[C@@H](N)CC2C1
InChIInChI=1S/C11H22N2/c1-8(2)13-6-9-3-4-11(12)5-10(9)7-13/h8-11H,3-7,12H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyTXLYUNDQBOIGHF-VQXHTEKXSA-N
MW182.31 g/mol
LogP1.45
Rot. Bonds1

About (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (PubChem CID 155648643) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.

Molecular Properties

Compound Name(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
PubChem CID155648643
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
SMILESCC(C)N1CC2CC[C@@H](N)CC2C1
InChIInChI=1S/C11H22N2/c1-8(2)13-6-9-3-4-11(12)5-10(9)7-13/h8-11H,3-7,12H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyTXLYUNDQBOIGHF-VQXHTEKXSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine with MolForge

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Related Compounds

(3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 153474508
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-amine
CID 98053858
2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 131059460
2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 67401281
(3aR,6aS)-5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166871486
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
5-methyl-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129015187
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 98053860
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
5-(2-methylpropyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 146572479
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-methylpentan-1-one
CID 43596073

Frequently Asked Questions

What is the IUPAC name of (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The IUPAC name of (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (CID 155648643) is (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine.
What is the SMILES notation for (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The canonical SMILES for (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is CC(C)N1CC2CC[C@@H](N)CC2C1.
What is the InChIKey of (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
The InChIKey is TXLYUNDQBOIGHF-VQXHTEKXSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)13-6-9-3-4-11(12)5-10(9)7-13/h8-11H,3-7,12H2,1-2H3/t9?,10?,11-/m1/s1.
What are the key properties of (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine?
(5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine has a molecular weight of 182.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine is sourced from PubChem (CID 155648643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).