1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine

C10H20N2 — CID 59679657

IUPAC1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
SMILESCCCN1CCC2CCC(N)C21
InChIInChI=1S/C10H20N2/c1-2-6-12-7-5-8-3-4-9(11)10(8)12/h8-10H,2-7,11H2,1H3
InChIKeyBBHAXWZSNKMUND-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.21
Rot. Bonds2

About 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine

1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine (PubChem CID 59679657) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine.

Molecular Properties

Compound Name1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
PubChem CID59679657
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
SMILESCCCN1CCC2CCC(N)C21
InChIInChI=1S/C10H20N2/c1-2-6-12-7-5-8-3-4-9(11)10(8)12/h8-10H,2-7,11H2,1H3
InChIKeyBBHAXWZSNKMUND-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The IUPAC name of 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine (CID 59679657) is 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine.
What is the SMILES notation for 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The canonical SMILES for 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine is CCCN1CCC2CCC(N)C21.
What is the InChIKey of 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The InChIKey is BBHAXWZSNKMUND-UHFFFAOYSA-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.
What are the key properties of 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
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 1-propyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine is sourced from PubChem (CID 59679657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).