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

C15H30N2 — CID 115562253

IUPAC4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CC2CCCC2C1
InChIInChI=1S/C15H30N2/c1-13(2)10-16-8-3-4-9-17-11-14-6-5-7-15(14)12-17/h13-16H,3-12H2,1-2H3
InChIKeyPVIBCGPDCRFMDM-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds7

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

4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 115562253) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID115562253
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCN1CC2CCCC2C1
InChIInChI=1S/C15H30N2/c1-13(2)10-16-8-3-4-9-17-11-14-6-5-7-15(14)12-17/h13-16H,3-12H2,1-2H3
InChIKeyPVIBCGPDCRFMDM-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
CID 102968223
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentyl]pyrrolidin-3-amine
CID 81469175
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62434416
2-(3-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 14761806
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 65324377

Frequently Asked Questions

What is the IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine (CID 115562253) is 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCN1CC2CCCC2C1.
What is the InChIKey of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is PVIBCGPDCRFMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2)10-16-8-3-4-9-17-11-14-6-5-7-15(14)12-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine?
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 115562253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).