3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol

C14H24N2O2 — CID 82893538

IUPAC3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCc1cc(OC)cc(C)n1
InChIInChI=1S/C14H24N2O2/c1-4-12(5-6-17)9-15-10-13-8-14(18-3)7-11(2)16-13/h7-8,12,15,17H,4-6,9-10H2,1-3H3
InChIKeyUTJZTGKBKLEIEY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.90
Rot. Bonds8

About 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol

3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol (PubChem CID 82893538) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol
PubChem CID82893538
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCc1cc(OC)cc(C)n1
InChIInChI=1S/C14H24N2O2/c1-4-12(5-6-17)9-15-10-13-8-14(18-3)7-11(2)16-13/h7-8,12,15,17H,4-6,9-10H2,1-3H3
InChIKeyUTJZTGKBKLEIEY-UHFFFAOYSA-N
XLogP1.90
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol (CID 82893538) is 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol is CCC(CCO)CNCc1cc(OC)cc(C)n1.
What is the InChIKey of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol?
The InChIKey is UTJZTGKBKLEIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-12(5-6-17)9-15-10-13-8-14(18-3)7-11(2)16-13/h7-8,12,15,17H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol?
3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]pentan-1-ol is sourced from PubChem (CID 82893538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).