(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine

C11H21N — CID 177148579

IUPAC(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
SMILESCC(C)C1C[C@H]2CC(N)C[C@H]2C1
InChIInChI=1S/C11H21N/c1-7(2)8-3-9-5-11(12)6-10(9)4-8/h7-11H,3-6,12H2,1-2H3/t8?,9-,10+,11?
InChIKeyQJJZXDRLWCXHQZ-GGWWSXTCSA-N
MW167.30 g/mol
LogP2.41
Rot. Bonds1

About (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine

(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine (PubChem CID 177148579) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine.

Molecular Properties

Compound Name(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
PubChem CID177148579
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine
SMILESCC(C)C1C[C@H]2CC(N)C[C@H]2C1
InChIInChI=1S/C11H21N/c1-7(2)8-3-9-5-11(12)6-10(9)4-8/h7-11H,3-6,12H2,1-2H3/t8?,9-,10+,11?
InChIKeyQJJZXDRLWCXHQZ-GGWWSXTCSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine with MolForge

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Related Compounds

3-(3-propan-2-ylcyclobutyl)cyclobutan-1-amine
CID 146600064
3-propan-2-ylbicyclo[3.1.1]heptan-6-amine
CID 158321353
(3aS,6aR)-2-ethyl-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 177020606
2-methoxy-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 155006906
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
3-(1-aminoethyl)cyclobutan-1-amine
CID 116937287
(3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 153474508
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
2-tert-butyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 154651567

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine?
The IUPAC name of (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine (CID 177148579) is (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine.
What is the SMILES notation for (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine?
The canonical SMILES for (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine is CC(C)C1C[C@H]2CC(N)C[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine?
The InChIKey is QJJZXDRLWCXHQZ-GGWWSXTCSA-N. The full InChI is InChI=1S/C11H21N/c1-7(2)8-3-9-5-11(12)6-10(9)4-8/h7-11H,3-6,12H2,1-2H3/t8?,9-,10+,11?.
What are the key properties of (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine?
(3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-amine is sourced from PubChem (CID 177148579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).