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

C13H26N2 — CID 115560295

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-2-3-7-13(14)10-15-8-11-5-4-6-12(11)9-15/h11-13H,2-10,14H2,1H3
InChIKeyGOTAAXXDPDBBJC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.24
Rot. Bonds5

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

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine (PubChem CID 115560295) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine
PubChem CID115560295
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine
SMILESCCCCC(N)CN1CC2CCCC2C1
InChIInChI=1S/C13H26N2/c1-2-3-7-13(14)10-15-8-11-5-4-6-12(11)9-15/h11-13H,2-10,14H2,1H3
InChIKeyGOTAAXXDPDBBJC-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)butan-2-amine
CID 130623539
1-(3,4,5-trimethylpiperazin-1-yl)hexan-2-amine
CID 114547111
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
1-morpholin-4-ylhexan-2-amine
CID 60852253
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxybutan-2-amine
CID 62476795
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
1-(3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114410564
1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63534762
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopropanamide
CID 115561447

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine (CID 115560295) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine is CCCCC(N)CN1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine?
The InChIKey is GOTAAXXDPDBBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-3-7-13(14)10-15-8-11-5-4-6-12(11)9-15/h11-13H,2-10,14H2,1H3.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.24, 5 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)hexan-2-amine is sourced from PubChem (CID 115560295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).