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

C16H24BrN3 — CID 115562108

IUPACN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1N1CC2CCCC2C1
InChIInChI=1S/C16H24BrN3/c1-2-6-18-8-14-7-15(17)9-19-16(14)20-10-12-4-3-5-13(12)11-20/h7,9,12-13,18H,2-6,8,10-11H2,1H3
InChIKeyRWGONBLNVBPMPY-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.58
Rot. Bonds5

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

N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine (PubChem CID 115562108) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine
PubChem CID115562108
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC NameN-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1N1CC2CCCC2C1
InChIInChI=1S/C16H24BrN3/c1-2-6-18-8-14-7-15(17)9-19-16(14)20-10-12-4-3-5-13(12)11-20/h7,9,12-13,18H,2-6,8,10-11H2,1H3
InChIKeyRWGONBLNVBPMPY-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
N-[[5-bromo-2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289269
N-[[5-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 64581795
N-[[5-bromo-2-(2-propylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 83045774
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
CID 63490204
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
1-[5-bromo-3-(ethylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81470154
N-[[5-bromo-2-(3,4-dimethoxypyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103539574
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
N-[[5-bromo-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294110
1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62281889

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-bromo-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine (CID 115562108) is N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Br)cnc1N1CC2CCCC2C1.
What is the InChIKey of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is RWGONBLNVBPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-2-6-18-8-14-7-15(17)9-19-16(14)20-10-12-4-3-5-13(12)11-20/h7,9,12-13,18H,2-6,8,10-11H2,1H3.
What are the key properties of N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromo-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 338.29 g/mol, XLogP of 3.58, 5 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-bromo-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 115562108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).