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

C13H22N4O — CID 79657694

IUPAC3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine
SMILESCCCN1CCOC(C(N)c2cnccc2N)C1
InChIInChI=1S/C13H22N4O/c1-2-5-17-6-7-18-12(9-17)13(15)10-8-16-4-3-11(10)14/h3-4,8,12-13H,2,5-7,9,15H2,1H3,(H2,14,16)
InChIKeyMWNXMYNUSTWCNC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.77
Rot. Bonds4

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

3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine (PubChem CID 79657694) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine
PubChem CID79657694
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine
SMILESCCCN1CCOC(C(N)c2cnccc2N)C1
InChIInChI=1S/C13H22N4O/c1-2-5-17-6-7-18-12(9-17)13(15)10-8-16-4-3-11(10)14/h3-4,8,12-13H,2,5-7,9,15H2,1H3,(H2,14,16)
InChIKeyMWNXMYNUSTWCNC-UHFFFAOYSA-N
XLogP0.77
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.77
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]pyridin-4-amine?
The IUPAC name of 3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine (CID 79657694) is 3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine is CCCN1CCOC(C(N)c2cnccc2N)C1.
What is the InChIKey of 3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine?
The InChIKey is MWNXMYNUSTWCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-5-17-6-7-18-12(9-17)13(15)10-8-16-4-3-11(10)14/h3-4,8,12-13H,2,5-7,9,15H2,1H3,(H2,14,16).
What are the key properties of 3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine?
3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 0.77, 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]pyridin-4-amine is sourced from PubChem (CID 79657694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).