1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine

C10H20N2 — CID 115559569

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine
SMILESCC(N)CN1CC2CCCC2C1
InChIInChI=1S/C10H20N2/c1-8(11)5-12-6-9-3-2-4-10(9)7-12/h8-10H,2-7,11H2,1H3
InChIKeyNPADXJMQKICCOX-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds2

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine (PubChem CID 115559569) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine
PubChem CID115559569
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine
SMILESCC(N)CN1CC2CCCC2C1
InChIInChI=1S/C10H20N2/c1-8(11)5-12-6-9-3-2-4-10(9)7-12/h8-10H,2-7,11H2,1H3
InChIKeyNPADXJMQKICCOX-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(3aS,6R,6aR)-6-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 69172513
(3aS,6S,6aR)-6-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 69172516
(3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 69172519
(3aS,4S,6aR)-4-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 69172527
3a-Fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 138719490
N-tert-butyl-3a-fluoro-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 139315446
N,2-ditert-butyl-3a-fluoro-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 139315573
3a-fluoro-N-(3-methylbutan-2-yl)-2-propan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 139315725
2-tert-butyl-3a-fluoro-N-pentan-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-amine
CID 139315756
2-propan-2-yl-N-(4,4,4-trifluorobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 177148502
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]methanamine
CID 135017736

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine (CID 115559569) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine is CC(N)CN1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine?
The InChIKey is NPADXJMQKICCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(11)5-12-6-9-3-2-4-10(9)7-12/h8-10H,2-7,11H2,1H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propan-2-amine is sourced from PubChem (CID 115559569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).