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

C13H26N2 — CID 66703862

IUPACN-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine
SMILESCCCCCNC[C@H]1NC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C13H26N2/c1-2-3-4-8-14-10-13-12-7-5-6-11(12)9-15-13/h11-15H,2-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyGYSBNUXRCFOROQ-RWMBFGLXSA-N
MW210.36 g/mol
LogP2.15
Rot. Bonds6

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

N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine (PubChem CID 66703862) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine
PubChem CID66703862
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine
SMILESCCCCCNC[C@H]1NC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C13H26N2/c1-2-3-4-8-14-10-13-12-7-5-6-11(12)9-15-13/h11-15H,2-10H2,1H3/t11-,12-,13+/m0/s1
InChIKeyGYSBNUXRCFOROQ-RWMBFGLXSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine (CID 66703862) is N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine is CCCCCNC[C@H]1NC[C@@H]2CCC[C@@H]21.
What is the InChIKey of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine?
The InChIKey is GYSBNUXRCFOROQ-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-3-4-8-14-10-13-12-7-5-6-11(12)9-15-13/h11-15H,2-10H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine?
N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine is sourced from PubChem (CID 66703862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).