3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine

C16H28N4O — CID 79662633

IUPAC3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1cnccc1N)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H28N4O/c1-4-6-19-16(13-10-18-7-5-14(13)17)15-11-20(12(2)3)8-9-21-15/h5,7,10,12,15-16,19H,4,6,8-9,11H2,1-3H3,(H2,17,18)
InChIKeyZPLSXLVAYXEJFU-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.81
Rot. Bonds6

About 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine

3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine (PubChem CID 79662633) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine
PubChem CID79662633
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine
SMILESCCCNC(c1cnccc1N)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H28N4O/c1-4-6-19-16(13-10-18-7-5-14(13)17)15-11-20(12(2)3)8-9-21-15/h5,7,10,12,15-16,19H,4,6,8-9,11H2,1-3H3,(H2,17,18)
InChIKeyZPLSXLVAYXEJFU-UHFFFAOYSA-N
XLogP1.81
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 79665233
N-[(2-methylpyrazol-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79662895
N-[(1-ethylimidazol-2-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79665969
3-[2-(4-ethylmorpholin-2-yl)-2-(propylamino)ethyl]pyridin-4-amine
CID 79662541
3-[methylamino-(4-methylmorpholin-2-yl)methyl]pyridin-4-amine
CID 79092957
N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79663833
3-[amino-(4-propylmorpholin-2-yl)methyl]pyridin-4-amine
CID 79657694
[(4-propan-2-ylmorpholin-2-yl)-pyrazin-2-ylmethyl]hydrazine
CID 105248200
N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665970
N-ethyl-1-(4-propan-2-ylmorpholin-2-yl)-2-pyridin-3-ylethanamine
CID 104736588
N-[cyclopropyl-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79664305
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 79664970

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine?
The IUPAC name of 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine (CID 79662633) is 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine?
The canonical SMILES for 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine is CCCNC(c1cnccc1N)C1CN(C(C)C)CCO1.
What is the InChIKey of 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine?
The InChIKey is ZPLSXLVAYXEJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-6-19-16(13-10-18-7-5-14(13)17)15-11-20(12(2)3)8-9-21-15/h5,7,10,12,15-16,19H,4,6,8-9,11H2,1-3H3,(H2,17,18).
What are the key properties of 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine?
3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylmorpholin-2-yl)-(propylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 79662633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).