3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine

C14H24N4O — CID 79658236

IUPAC3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
SMILESCCCN1CCOC(C(N)c2c(C)ccnc2N)C1
InChIInChI=1S/C14H24N4O/c1-3-6-18-7-8-19-11(9-18)13(15)12-10(2)4-5-17-14(12)16/h4-5,11,13H,3,6-9,15H2,1-2H3,(H2,16,17)
InChIKeyCBHSZJFEWAIHDW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.08
Rot. Bonds4

About 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine

3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine (PubChem CID 79658236) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
PubChem CID79658236
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine
SMILESCCCN1CCOC(C(N)c2c(C)ccnc2N)C1
InChIInChI=1S/C14H24N4O/c1-3-6-18-7-8-19-11(9-18)13(15)12-10(2)4-5-17-14(12)16/h4-5,11,13H,3,6-9,15H2,1-2H3,(H2,16,17)
InChIKeyCBHSZJFEWAIHDW-UHFFFAOYSA-N
XLogP1.08
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine (CID 79658236) is 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine is CCCN1CCOC(C(N)c2c(C)ccnc2N)C1.
What is the InChIKey of 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine?
The InChIKey is CBHSZJFEWAIHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-6-18-7-8-19-11(9-18)13(15)12-10(2)4-5-17-14(12)16/h4-5,11,13H,3,6-9,15H2,1-2H3,(H2,16,17).
What are the key properties of 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine?
3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-propylmorpholin-2-yl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 79658236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).