(3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

C9H18N2 — CID 141258580

IUPAC(3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCN(C)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H18N2/c1-11(2)9-3-7-5-10-6-8(7)4-9/h7-10H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyZRLHREPPHVFDET-JVHMLUBASA-N
MW154.26 g/mol
LogP0.55
Rot. Bonds1

About (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

(3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (PubChem CID 141258580) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
PubChem CID141258580
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine
SMILESCN(C)C1C[C@H]2CNC[C@H]2C1
InChIInChI=1S/C9H18N2/c1-11(2)9-3-7-5-10-6-8(7)4-9/h7-10H,3-6H2,1-2H3/t7-,8+,9?
InChIKeyZRLHREPPHVFDET-JVHMLUBASA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine (CID 141258580) is (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is CN(C)C1C[C@H]2CNC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
The InChIKey is ZRLHREPPHVFDET-JVHMLUBASA-N. The full InChI is InChI=1S/C9H18N2/c1-11(2)9-3-7-5-10-6-8(7)4-9/h7-10H,3-6H2,1-2H3/t7-,8+,9?.
What are the key properties of (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine?
(3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine has a molecular weight of 154.26 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N,N-dimethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 141258580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).