N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine

C18H31N3 — CID 62289436

IUPACN-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1N1CCC(CC)CC1
InChIInChI=1S/C18H31N3/c1-5-9-19-13-17-14(3)12-15(4)20-18(17)21-10-7-16(6-2)8-11-21/h12,16,19H,5-11,13H2,1-4H3
InChIKeyUMGLYPXSHRIQOX-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.82
Rot. Bonds6

About N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine

N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62289436) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID62289436
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1N1CCC(CC)CC1
InChIInChI=1S/C18H31N3/c1-5-9-19-13-17-14(3)12-15(4)20-18(17)21-10-7-16(6-2)8-11-21/h12,16,19H,5-11,13H2,1-4H3
InChIKeyUMGLYPXSHRIQOX-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

1-[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62289434
N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62286638
N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62284915
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62281276
N-[[4,6-dimethyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285741
[2-(3-ethylpyrrolidin-1-yl)-4,6-dimethyl-3-pyridinyl]methanol
CID 113418483
1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 103502957
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
N-[(4,6-dimethyl-2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 62286271
N-[[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294676
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 62287174

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine (CID 62289436) is N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1c(C)cc(C)nc1N1CCC(CC)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is UMGLYPXSHRIQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-9-19-13-17-14(3)12-15(4)20-18(17)21-10-7-16(6-2)8-11-21/h12,16,19H,5-11,13H2,1-4H3.
What are the key properties of N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62289436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).