1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine

C7H12N2 — CID 19049158

IUPAC1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine
SMILESNC1=NCC2CCCC12
InChIInChI=1S/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
InChIKeyQRVPYEUERURUGX-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.77
Rot. Bonds

About 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine

1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine (PubChem CID 19049158) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine.

Molecular Properties

Compound Name1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine
PubChem CID19049158
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine
SMILESNC1=NCC2CCCC12
InChIInChI=1S/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9)
InChIKeyQRVPYEUERURUGX-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine?
The IUPAC name of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine (CID 19049158) is 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine.
What is the SMILES notation for 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine?
The canonical SMILES for 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine is NC1=NCC2CCCC12.
What is the InChIKey of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine?
The InChIKey is QRVPYEUERURUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-7-6-3-1-2-5(6)4-9-7/h5-6H,1-4H2,(H2,8,9).
What are the key properties of 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine?
1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine has a molecular weight of 124.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3-amine is sourced from PubChem (CID 19049158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).