N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine

C14H28N2O — CID 79180460

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

About N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine

N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine (PubChem CID 79180460) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine
PubChem CID79180460
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine
SMILESCCC(C)(C(C=C(C)C)NC)N1CCOCC1
InChIInChI=1S/C14H28N2O/c1-6-14(4,13(15-5)11-12(2)3)16-7-9-17-10-8-16/h11,13,15H,6-10H2,1-5H3
InChIKeyGRTSYOIAIYQDHH-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,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The IUPAC name of N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine (CID 79180460) is N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine.
What is the SMILES notation for N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The canonical SMILES for N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine is CCC(C)(C(C=C(C)C)NC)N1CCOCC1.
What is the InChIKey of N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The InChIKey is GRTSYOIAIYQDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-14(4,13(15-5)11-12(2)3)16-7-9-17-10-8-16/h11,13,15H,6-10H2,1-5H3.
What are the key properties of N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine?
N,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-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,2,5-trimethyl-5-morpholin-4-ylhept-2-en-4-amine is sourced from PubChem (CID 79180460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).