1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine

C16H27N3O2 — CID 79171631

IUPAC1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C16H27N3O2/c1-4-13(17)9-15-16(6-5-12(2)18-15)21-11-14-10-19(3)7-8-20-14/h5-6,13-14H,4,7-11,17H2,1-3H3
InChIKeyBHPSFWSTDSZLEA-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.38
Rot. Bonds6

About 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine

1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine (PubChem CID 79171631) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
PubChem CID79171631
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1nc(C)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C16H27N3O2/c1-4-13(17)9-15-16(6-5-12(2)18-15)21-11-14-10-19(3)7-8-20-14/h5-6,13-14H,4,7-11,17H2,1-3H3
InChIKeyBHPSFWSTDSZLEA-UHFFFAOYSA-N
XLogP1.38
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107693270
1-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79168840
[6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 79162914
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 79171162
1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
1-[3-methoxy-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79166369
1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79182209
1-[3-[(4-ethylmorpholin-2-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79167041
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine (CID 79171631) is 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine is CCC(N)Cc1nc(C)ccc1OCC1CN(C)CCO1.
What is the InChIKey of 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine?
The InChIKey is BHPSFWSTDSZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-13(17)9-15-16(6-5-12(2)18-15)21-11-14-10-19(3)7-8-20-14/h5-6,13-14H,4,7-11,17H2,1-3H3.
What are the key properties of 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine?
1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79171631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).