N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine

C18H31N3 — CID 80638418

IUPACN-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC(CC)CC2)c(C)c1
InChIInChI=1S/C18H31N3/c1-4-9-19-13-17-12-15(3)18(20-14-17)21-10-6-7-16(5-2)8-11-21/h12,14,16,19H,4-11,13H2,1-3H3
InChIKeyTZNFFVYKPITSJJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.91
Rot. Bonds6

About N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80638418) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID80638418
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCC(CC)CC2)c(C)c1
InChIInChI=1S/C18H31N3/c1-4-9-19-13-17-12-15(3)18(20-14-17)21-10-6-7-16(5-2)8-11-21/h12,14,16,19H,4-11,13H2,1-3H3
InChIKeyTZNFFVYKPITSJJ-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80635459
N-[[6-(3-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 102961607
N-[[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80629616
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576
1-[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]propan-2-amine
CID 80634462
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-yl]methanol
CID 80630100
[6-(4-ethylpiperidin-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 80630113
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80630835
1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80630801
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-3-ol
CID 80630199

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine (CID 80638418) is N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(N2CCCC(CC)CC2)c(C)c1.
What is the InChIKey of N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is TZNFFVYKPITSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-9-19-13-17-12-15(3)18(20-14-17)21-10-6-7-16(5-2)8-11-21/h12,14,16,19H,4-11,13H2,1-3H3.
What are the key properties of N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80638418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).