(E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine

C13H26N2O — CID 134480979

IUPAC(E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine
SMILESCC/C=C(/NC)C(C)(CC)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-5-7-12(14-4)13(3,6-2)15-8-10-16-11-9-15/h7,14H,5-6,8-11H2,1-4H3/b12-7+
InChIKeyFZYUMAQOQKEAJY-KPKJPENVSA-N
MW226.36 g/mol
LogP2.00
Rot. Bonds5

About (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine

(E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine (PubChem CID 134480979) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine.

Molecular Properties

Compound Name(E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine
PubChem CID134480979
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine
SMILESCC/C=C(/NC)C(C)(CC)N1CCOCC1
InChIInChI=1S/C13H26N2O/c1-5-7-12(14-4)13(3,6-2)15-8-10-16-11-9-15/h7,14H,5-6,8-11H2,1-4H3/b12-7+
InChIKeyFZYUMAQOQKEAJY-KPKJPENVSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-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 (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine?
The IUPAC name of (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine (CID 134480979) is (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine.
What is the SMILES notation for (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine?
The canonical SMILES for (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine is CC/C=C(/NC)C(C)(CC)N1CCOCC1.
What is the InChIKey of (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine?
The InChIKey is FZYUMAQOQKEAJY-KPKJPENVSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-12(14-4)13(3,6-2)15-8-10-16-11-9-15/h7,14H,5-6,8-11H2,1-4H3/b12-7+.
What are the key properties of (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine?
(E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine has a molecular weight of 226.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,5-dimethyl-5-morpholin-4-ylhept-3-en-4-amine is sourced from PubChem (CID 134480979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).