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

C16H26N2O2 — CID 63556322

IUPACN-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)c(CNCC(C)C)c(OC2CCOC2)n1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-17-9-15-12(3)7-13(4)18-16(15)20-14-5-6-19-10-14/h7,11,14,17H,5-6,8-10H2,1-4H3
InChIKeyGZMXJMUYTRUJGU-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds6

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

N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 63556322) 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-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID63556322
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C)c(CNCC(C)C)c(OC2CCOC2)n1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-17-9-15-12(3)7-13(4)18-16(15)20-14-5-6-19-10-14/h7,11,14,17H,5-6,8-10H2,1-4H3
InChIKeyGZMXJMUYTRUJGU-UHFFFAOYSA-N
XLogP2.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 63556322) is N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1cc(C)c(CNCC(C)C)c(OC2CCOC2)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GZMXJMUYTRUJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)8-17-9-15-12(3)7-13(4)18-16(15)20-14-5-6-19-10-14/h7,11,14,17H,5-6,8-10H2,1-4H3.
What are the key properties of N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4,6-dimethyl-2-(oxolan-3-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.61, 6 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-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63556322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).