1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine

C7H12N2 — CID 141163031

IUPAC1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine
SMILESNC1CC2CCC=C2N1
InChIInChI=1S/C7H12N2/c8-7-4-5-2-1-3-6(5)9-7/h3,5,7,9H,1-2,4,8H2
InChIKeyIWJFTABKMHNNIP-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.56
Rot. Bonds

About 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine

1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine (PubChem CID 141163031) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine.

Molecular Properties

Compound Name1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine
PubChem CID141163031
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine
SMILESNC1CC2CCC=C2N1
InChIInChI=1S/C7H12N2/c8-7-4-5-2-1-3-6(5)9-7/h3,5,7,9H,1-2,4,8H2
InChIKeyIWJFTABKMHNNIP-UHFFFAOYSA-N
XLogP0.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143618837
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CID 20531195
trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine
CID 157284559
1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 66924633
2-cyclobutyl-6-methylcyclohex-2-en-1-amine
CID 66604382
(1R,5R)-8-azabicyclo[3.2.1]octan-3-amine
CID 98048984
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
3-nitrosocyclohex-3-en-1-amine
CID 163529455
(1,2,3-13C3)cyclopropanamine
CID 76972988
trans-(1R,3R)-3-(4-fluorophenyl)cyclopentan-1-amine
CID 94827218
4-(cyclohexen-1-yl)cyclohexan-1-amine
CID 146223069

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine?
The IUPAC name of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine (CID 141163031) is 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine.
What is the SMILES notation for 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine?
The canonical SMILES for 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine is NC1CC2CCC=C2N1.
What is the InChIKey of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine?
The InChIKey is IWJFTABKMHNNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-7-4-5-2-1-3-6(5)9-7/h3,5,7,9H,1-2,4,8H2.
What are the key properties of 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine?
1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine has a molecular weight of 124.19 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine is sourced from PubChem (CID 141163031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).