N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine

C16H25BrN2O — CID 63490204

IUPACN-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1OC1CCCCCC1
InChIInChI=1S/C16H25BrN2O/c1-2-9-18-11-13-10-14(17)12-19-16(13)20-15-7-5-3-4-6-8-15/h10,12,15,18H,2-9,11H2,1H3
InChIKeyUYYWNBKOLJBRFT-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.45
Rot. Bonds6

About N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine

N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 63490204) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID63490204
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Br)cnc1OC1CCCCCC1
InChIInChI=1S/C16H25BrN2O/c1-2-9-18-11-13-10-14(17)12-19-16(13)20-15-7-5-3-4-6-8-15/h10,12,15,18H,2-9,11H2,1H3
InChIKeyUYYWNBKOLJBRFT-UHFFFAOYSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 64739927
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
(5-bromo-2-cyclopentyloxy-3-pyridinyl)methanol
CID 62000006
N-[[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]ethanamine
CID 63557699
N-[[5-bromo-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291897
N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]propan-1-amine
CID 82925799
N-[[5-bromo-2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]propan-1-amine
CID 66276171
1-[5-bromo-2-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
CID 114342262
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine (CID 63490204) is N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cc(Br)cnc1OC1CCCCCC1.
What is the InChIKey of N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is UYYWNBKOLJBRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-2-9-18-11-13-10-14(17)12-19-16(13)20-15-7-5-3-4-6-8-15/h10,12,15,18H,2-9,11H2,1H3.
What are the key properties of N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine?
N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 341.29 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-cycloheptyloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63490204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).