N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine

C13H26N2O — CID 79052089

IUPACN-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine
SMILESC=CCC(NCC)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-5-7-12(14-6-2)13(3,4)15-8-10-16-11-9-15/h5,12,14H,1,6-11H2,2-4H3
InChIKeyUPAVFHLMZPWEFL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine

N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine (PubChem CID 79052089) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine
PubChem CID79052089
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine
SMILESC=CCC(NCC)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-5-7-12(14-6-2)13(3,4)15-8-10-16-11-9-15/h5,12,14H,1,6-11H2,2-4H3
InChIKeyUPAVFHLMZPWEFL-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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 N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine?
The IUPAC name of N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine (CID 79052089) is N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine?
The canonical SMILES for N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine is C=CCC(NCC)C(C)(C)N1CCOCC1.
What is the InChIKey of N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine?
The InChIKey is UPAVFHLMZPWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-12(14-6-2)13(3,4)15-8-10-16-11-9-15/h5,12,14H,1,6-11H2,2-4H3.
What are the key properties of N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine?
N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine is sourced from PubChem (CID 79052089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).