N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine

C14H28N2O — CID 79179073

IUPACN-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H28N2O/c1-6-15-13(11-12(2)3)14(4,5)16-7-9-17-10-8-16/h11,13,15H,6-10H2,1-5H3
InChIKeyMBMBTVOEGBOILH-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds5

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

N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine (PubChem CID 79179073) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine
PubChem CID79179073
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)C(C)(C)N1CCOCC1
InChIInChI=1S/C14H28N2O/c1-6-15-13(11-12(2)3)14(4,5)16-7-9-17-10-8-16/h11,13,15H,6-10H2,1-5H3
InChIKeyMBMBTVOEGBOILH-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
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-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine (CID 79179073) is N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine is CCNC(C=C(C)C)C(C)(C)N1CCOCC1.
What is the InChIKey of N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine?
The InChIKey is MBMBTVOEGBOILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-15-13(11-12(2)3)14(4,5)16-7-9-17-10-8-16/h11,13,15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine?
N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-2-morpholin-4-ylhex-4-en-3-amine is sourced from PubChem (CID 79179073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).