3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C15H32N2O — CID 81019120

IUPAC3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)N1CCOCC1(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)9-16-10-13(3)14(4)17-7-8-18-11-15(17,5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyPDWBCVBWVDEJLN-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds6

About 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine

3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 81019120) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID81019120
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)N1CCOCC1(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)9-16-10-13(3)14(4)17-7-8-18-11-15(17,5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyPDWBCVBWVDEJLN-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
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-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 81019120) is 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)C(C)N1CCOCC1(C)C.
What is the InChIKey of 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is PDWBCVBWVDEJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)9-16-10-13(3)14(4)17-7-8-18-11-15(17,5)6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 6 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-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 81019120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).