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

C16H26N2O2 — CID 62322089

IUPACN-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1OCC1CCOC1
InChIInChI=1S/C16H26N2O2/c1-4-6-17-9-15-12(2)8-13(3)18-16(15)20-11-14-5-7-19-10-14/h8,14,17H,4-7,9-11H2,1-3H3
InChIKeyKTYQSFLZOAZMSW-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds7

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

N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62322089) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62322089
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1c(C)cc(C)nc1OCC1CCOC1
InChIInChI=1S/C16H26N2O2/c1-4-6-17-9-15-12(2)8-13(3)18-16(15)20-11-14-5-7-19-10-14/h8,14,17H,4-7,9-11H2,1-3H3
InChIKeyKTYQSFLZOAZMSW-UHFFFAOYSA-N
XLogP2.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol
CID 54977105
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 62287174
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217
N-[(2-hexoxy-4,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 63489847
N-[[5-(oxolan-3-ylmethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382055
N-[[2-(cyclopropylmethoxy)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291511
N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61313216
N-[[4,6-dimethyl-2-(oxan-4-yloxy)-3-pyridinyl]methyl]ethanamine
CID 55058614
1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62385087
2,5-dimethyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80873297
N-[[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 107687270
N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63556322

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62322089) is N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1c(C)cc(C)nc1OCC1CCOC1.
What is the InChIKey of N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is KTYQSFLZOAZMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-17-9-15-12(2)8-13(3)18-16(15)20-11-14-5-7-19-10-14/h8,14,17H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine?
N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62322089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).