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

C15H22ClN3 — CID 114926849

IUPACN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CC3CCCC3C2)ncc1Cl
InChIInChI=1S/C15H22ClN3/c1-2-17-7-13-6-15(18-8-14(13)16)19-9-11-4-3-5-12(11)10-19/h6,8,11-12,17H,2-5,7,9-10H2,1H3
InChIKeyMNTKNECYBIORTL-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.08
Rot. Bonds4

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

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine (PubChem CID 114926849) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine
PubChem CID114926849
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(N2CC3CCCC3C2)ncc1Cl
InChIInChI=1S/C15H22ClN3/c1-2-17-7-13-6-15(18-8-14(13)16)19-9-11-4-3-5-12(11)10-19/h6,8,11-12,17H,2-5,7,9-10H2,1H3
InChIKeyMNTKNECYBIORTL-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

1-[5-chloro-4-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 114926695
N-[[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926598
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
N-[[5-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 114925111
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114926213
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(3-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927110
N-[[5-chloro-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]propan-2-amine
CID 104984142
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926217
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 102967874
N-[[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylphenyl]methyl]ethanamine
CID 115560663

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine (CID 114926849) is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine is CCNCc1cc(N2CC3CCCC3C2)ncc1Cl.
What is the InChIKey of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine?
The InChIKey is MNTKNECYBIORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-2-17-7-13-6-15(18-8-14(13)16)19-9-11-4-3-5-12(11)10-19/h6,8,11-12,17H,2-5,7,9-10H2,1H3.
What are the key properties of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine?
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine has a molecular weight of 279.81 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114926849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).