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

C18H31N3 — CID 62281276

IUPACN-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1N1CCCCC1CC
InChIInChI=1S/C18H31N3/c1-5-10-19-13-17-14(3)12-15(4)20-18(17)21-11-8-7-9-16(21)6-2/h12,16,19H,5-11,13H2,1-4H3
InChIKeyAUEWOCNMUHBLMD-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.97
Rot. Bonds6

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

N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62281276) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID62281276
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1N1CCCCC1CC
InChIInChI=1S/C18H31N3/c1-5-10-19-13-17-14(3)12-15(4)20-18(17)21-11-8-7-9-16(21)6-2/h12,16,19H,5-11,13H2,1-4H3
InChIKeyAUEWOCNMUHBLMD-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine (CID 62281276) is N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1c(C)cc(C)nc1N1CCCCC1CC.
What is the InChIKey of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is AUEWOCNMUHBLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-10-19-13-17-14(3)12-15(4)20-18(17)21-11-8-7-9-16(21)6-2/h12,16,19H,5-11,13H2,1-4H3.
What are the key properties of N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine?
N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62281276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).