2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine

C15H30N2O — CID 89073923

IUPAC2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine
SMILESC=C(C)C(N)CCC(C)N1CC(C)OC(C)C1C
InChIInChI=1S/C15H30N2O/c1-10(2)15(16)8-7-11(3)17-9-12(4)18-14(6)13(17)5/h11-15H,1,7-9,16H2,2-6H3
InChIKeyNUZJACGNFPMNTK-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.56
Rot. Bonds5

About 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine

2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine (PubChem CID 89073923) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine
PubChem CID89073923
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine
SMILESC=C(C)C(N)CCC(C)N1CC(C)OC(C)C1C
InChIInChI=1S/C15H30N2O/c1-10(2)15(16)8-7-11(3)17-9-12(4)18-14(6)13(17)5/h11-15H,1,7-9,16H2,2-6H3
InChIKeyNUZJACGNFPMNTK-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine?
The IUPAC name of 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine (CID 89073923) is 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine.
What is the SMILES notation for 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine?
The canonical SMILES for 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine is C=C(C)C(N)CCC(C)N1CC(C)OC(C)C1C.
What is the InChIKey of 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine?
The InChIKey is NUZJACGNFPMNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)15(16)8-7-11(3)17-9-12(4)18-14(6)13(17)5/h11-15H,1,7-9,16H2,2-6H3.
What are the key properties of 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine?
2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,3,6-trimethylmorpholin-4-yl)hept-1-en-3-amine is sourced from PubChem (CID 89073923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).