N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine

C17H26ClN3 — CID 115562045

IUPACN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CC3CCCC3C2)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c1-17(2,3)20-9-12-7-15(18)16(19-8-12)21-10-13-5-4-6-14(13)11-21/h7-8,13-14,20H,4-6,9-11H2,1-3H3
InChIKeyBXSDFQAANSJMII-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.86
Rot. Bonds3

About N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 115562045) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID115562045
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CC3CCCC3C2)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c1-17(2,3)20-9-12-7-15(18)16(19-8-12)21-10-13-5-4-6-14(13)11-21/h7-8,13-14,20H,4-6,9-11H2,1-3H3
InChIKeyBXSDFQAANSJMII-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 115562045) is N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(N2CC3CCCC3C2)c(Cl)c1.
What is the InChIKey of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BXSDFQAANSJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-17(2,3)20-9-12-7-15(18)16(19-8-12)21-10-13-5-4-6-14(13)11-21/h7-8,13-14,20H,4-6,9-11H2,1-3H3.
What are the key properties of N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.87 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 115562045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).