(3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine

C10H20N2 — CID 59679671

IUPAC(3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
SMILESCCCN1CC[C@H]2CC[C@H](N)[C@H]21
InChIInChI=1S/C10H20N2/c1-2-6-12-7-5-8-3-4-9(11)10(8)12/h8-10H,2-7,11H2,1H3/t8-,9+,10+/m1/s1
InChIKeyBBHAXWZSNKMUND-UTLUCORTSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds2

About (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine

(3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine (PubChem CID 59679671) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine.

Molecular Properties

Compound Name(3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
PubChem CID59679671
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
SMILESCCCN1CC[C@H]2CC[C@H](N)[C@H]21
InChIInChI=1S/C10H20N2/c1-2-6-12-7-5-8-3-4-9(11)10(8)12/h8-10H,2-7,11H2,1H3/t8-,9+,10+/m1/s1
InChIKeyBBHAXWZSNKMUND-UTLUCORTSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine with MolForge

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Related Compounds

cis-N,N-Dimethyl-1,2,3,3A,4,5,6,6A-octahydrocyclopenta[C]pyrrol-5-amine
CID 141258580
3a-Fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 138719490
2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethanamine
CID 12255747
1-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)ethan-1-amine
CID 20083267
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-3-yl)-N,N-dimethylmethanamine
CID 56987953
(3aR,5r,6aS)-2-Methyloctahydrocyclopenta[c]pyrrol-5-amine
CID 56997658
(3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 58515227
(3aS,4R,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 58515231
N,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59278664
N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 59398149
1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
CID 59679657
N-[[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]pentan-1-amine
CID 66703862

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The IUPAC name of (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine (CID 59679671) is (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine.
What is the SMILES notation for (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The canonical SMILES for (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine is CCCN1CC[C@H]2CC[C@H](N)[C@H]21.
What is the InChIKey of (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The InChIKey is BBHAXWZSNKMUND-UTLUCORTSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-6-12-7-5-8-3-4-9(11)10(8)12/h8-10H,2-7,11H2,1H3/t8-,9+,10+/m1/s1.
What are the key properties of (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
(3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine has a molecular weight of 168.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine is sourced from PubChem (CID 59679671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).