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

C17H30N2O — CID 63489847

IUPACN-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCCCCOc1nc(C)cc(C)c1CNCCC
InChIInChI=1S/C17H30N2O/c1-5-7-8-9-11-20-17-16(13-18-10-6-2)14(3)12-15(4)19-17/h12,18H,5-11,13H2,1-4H3
InChIKeyICNPQUSIKXZUSZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.16
Rot. Bonds10

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

N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 63489847) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID63489847
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCCCCOc1nc(C)cc(C)c1CNCCC
InChIInChI=1S/C17H30N2O/c1-5-7-8-9-11-20-17-16(13-18-10-6-2)14(3)12-15(4)19-17/h12,18H,5-11,13H2,1-4H3
InChIKeyICNPQUSIKXZUSZ-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.16
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

1-(4,6-dimethyl-2-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296147
3-(chloromethyl)-4,6-dimethyl-2-pentoxypyridine
CID 63446054
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 62287174
N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]cyclopropanamine
CID 62290425
N-[[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62292538
N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62322089
N-[[4,6-dimethyl-2-(3-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296977
4,6-dimethyl-2-octoxypyridine-3-carbothioamide
CID 63519301
N-[(4,6-dimethyl-2-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
CID 62288244
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol
CID 61255510
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine (CID 63489847) is N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine is CCCCCCOc1nc(C)cc(C)c1CNCCC.
What is the InChIKey of N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is ICNPQUSIKXZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-7-8-9-11-20-17-16(13-18-10-6-2)14(3)12-15(4)19-17/h12,18H,5-11,13H2,1-4H3.
What are the key properties of N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 63489847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).