2-methyl-2-morpholin-4-ylhept-6-en-3-amine

C12H24N2O — CID 79051911

IUPAC2-methyl-2-morpholin-4-ylhept-6-en-3-amine
SMILESC=CCCC(N)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H24N2O/c1-4-5-6-11(13)12(2,3)14-7-9-15-10-8-14/h4,11H,1,5-10,13H2,2-3H3
InChIKeyDBTZFRWNCUQZHE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds5

About 2-methyl-2-morpholin-4-ylhept-6-en-3-amine

2-methyl-2-morpholin-4-ylhept-6-en-3-amine (PubChem CID 79051911) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylhept-6-en-3-amine.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylhept-6-en-3-amine
PubChem CID79051911
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-2-morpholin-4-ylhept-6-en-3-amine
SMILESC=CCCC(N)C(C)(C)N1CCOCC1
InChIInChI=1S/C12H24N2O/c1-4-5-6-11(13)12(2,3)14-7-9-15-10-8-14/h4,11H,1,5-10,13H2,2-3H3
InChIKeyDBTZFRWNCUQZHE-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
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-2-morpholin-4-ylhept-6-en-3-amine?
The IUPAC name of 2-methyl-2-morpholin-4-ylhept-6-en-3-amine (CID 79051911) is 2-methyl-2-morpholin-4-ylhept-6-en-3-amine.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylhept-6-en-3-amine?
The canonical SMILES for 2-methyl-2-morpholin-4-ylhept-6-en-3-amine is C=CCCC(N)C(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylhept-6-en-3-amine?
The InChIKey is DBTZFRWNCUQZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-11(13)12(2,3)14-7-9-15-10-8-14/h4,11H,1,5-10,13H2,2-3H3.
What are the key properties of 2-methyl-2-morpholin-4-ylhept-6-en-3-amine?
2-methyl-2-morpholin-4-ylhept-6-en-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylhept-6-en-3-amine is sourced from PubChem (CID 79051911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).