2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine

C13H26N2O — CID 79180287

IUPAC2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine
SMILESCCC(C)(C(N)C=C(C)C)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-5-13(4,12(14)10-11(2)3)15-6-8-16-9-7-15/h10,12H,5-9,14H2,1-4H3
InChIKeyHZNHPFZGVPFROE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.78
Rot. Bonds4

About 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine

2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine (PubChem CID 79180287) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine
PubChem CID79180287
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine
SMILESCCC(C)(C(N)C=C(C)C)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-5-13(4,12(14)10-11(2)3)15-6-8-16-9-7-15/h10,12H,5-9,14H2,1-4H3
InChIKeyHZNHPFZGVPFROE-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.78
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 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The IUPAC name of 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine (CID 79180287) is 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine.
What is the SMILES notation for 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The canonical SMILES for 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine is CCC(C)(C(N)C=C(C)C)N1CCOCC1.
What is the InChIKey of 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The InChIKey is HZNHPFZGVPFROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(4,12(14)10-11(2)3)15-6-8-16-9-7-15/h10,12H,5-9,14H2,1-4H3.
What are the key properties of 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine?
2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine is sourced from PubChem (CID 79180287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).