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

C15H30N2O — CID 79177318

IUPACN-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-6-15(5,17-8-10-18-11-9-17)14(16-7-2)12-13(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyBJTWREICYXULOT-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds6

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

N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine (PubChem CID 79177318) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine
PubChem CID79177318
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine
SMILESCCNC(C=C(C)C)C(C)(CC)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-6-15(5,17-8-10-18-11-9-17)14(16-7-2)12-13(3)4/h12,14,16H,6-11H2,1-5H3
InChIKeyBJTWREICYXULOT-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
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-5-morpholin-4-ylhept-2-en-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine (CID 79177318) is N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine is CCNC(C=C(C)C)C(C)(CC)N1CCOCC1.
What is the InChIKey of N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine?
The InChIKey is BJTWREICYXULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-15(5,17-8-10-18-11-9-17)14(16-7-2)12-13(3)4/h12,14,16H,6-11H2,1-5H3.
What are the key properties of N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine?
N-ethyl-2,5-dimethyl-5-morpholin-4-ylhept-2-en-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 6 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-5-morpholin-4-ylhept-2-en-4-amine is sourced from PubChem (CID 79177318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).