1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine

C11H24N2O2 — CID 62476464

IUPAC1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCOCC1(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2)9-15-7-5-13(11)8-10(12)4-6-14-3/h10H,4-9,12H2,1-3H3
InChIKeyYGGMCXBBPKTMRN-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds5

About 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine

1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine (PubChem CID 62476464) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine
PubChem CID62476464
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCOCC1(C)C
InChIInChI=1S/C11H24N2O2/c1-11(2)9-15-7-5-13(11)8-10(12)4-6-14-3/h10H,4-9,12H2,1-3H3
InChIKeyYGGMCXBBPKTMRN-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine (CID 62476464) is 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine is COCCC(N)CN1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine?
The InChIKey is YGGMCXBBPKTMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-11(2)9-15-7-5-13(11)8-10(12)4-6-14-3/h10H,4-9,12H2,1-3H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine?
1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine has a molecular weight of 216.32 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 62476464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).