N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine

C13H26N2O — CID 79178852

IUPACN,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine
SMILESCNC(C=C(C)C)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11(2)10-12(14-5)13(3,4)15-6-8-16-9-7-15/h10,12,14H,6-9H2,1-5H3
InChIKeyYHAHFBOTKVDQEE-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds4

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

N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine (PubChem CID 79178852) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine
PubChem CID79178852
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine
SMILESCNC(C=C(C)C)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-11(2)10-12(14-5)13(3,4)15-6-8-16-9-7-15/h10,12,14H,6-9H2,1-5H3
InChIKeyYHAHFBOTKVDQEE-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine?
The IUPAC name of N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine (CID 79178852) is N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine.
What is the SMILES notation for N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine?
The canonical SMILES for N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine is CNC(C=C(C)C)C(C)(C)N1CCOCC1.
What is the InChIKey of N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine?
The InChIKey is YHAHFBOTKVDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)10-12(14-5)13(3,4)15-6-8-16-9-7-15/h10,12,14H,6-9H2,1-5H3.
What are the key properties of N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine?
N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-2-morpholin-4-ylhex-4-en-3-amine is sourced from PubChem (CID 79178852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).