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

C10H22N2O — CID 61430007

IUPAC3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCOCC1(C)C
InChIInChI=1S/C10H22N2O/c1-9(6-11)7-12-4-5-13-8-10(12,2)3/h9H,4-8,11H2,1-3H3
InChIKeyDJUNPCOSHPPMMJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds3

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

3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine (PubChem CID 61430007) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
PubChem CID61430007
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
SMILESCC(CN)CN1CCOCC1(C)C
InChIInChI=1S/C10H22N2O/c1-9(6-11)7-12-4-5-13-8-10(12,2)3/h9H,4-8,11H2,1-3H3
InChIKeyDJUNPCOSHPPMMJ-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine (CID 61430007) is 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine is CC(CN)CN1CCOCC1(C)C.
What is the InChIKey of 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine?
The InChIKey is DJUNPCOSHPPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(6-11)7-12-4-5-13-8-10(12,2)3/h9H,4-8,11H2,1-3H3.
What are the key properties of 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine?
3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 61430007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).