1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine

C14H25N3O — CID 154501436

IUPAC1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine
SMILESCCC(CN1CCOCC1)C1(N)C=CC=C(N)C1
InChIInChI=1S/C14H25N3O/c1-2-12(11-17-6-8-18-9-7-17)14(16)5-3-4-13(15)10-14/h3-5,12H,2,6-11,15-16H2,1H3
InChIKeyUXWLOXXTIXYODH-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.84
Rot. Bonds4

About 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine

1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine (PubChem CID 154501436) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine
PubChem CID154501436
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine
SMILESCCC(CN1CCOCC1)C1(N)C=CC=C(N)C1
InChIInChI=1S/C14H25N3O/c1-2-12(11-17-6-8-18-9-7-17)14(16)5-3-4-13(15)10-14/h3-5,12H,2,6-11,15-16H2,1H3
InChIKeyUXWLOXXTIXYODH-UHFFFAOYSA-N
XLogP0.84
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine 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 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine (CID 154501436) is 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine is CCC(CN1CCOCC1)C1(N)C=CC=C(N)C1.
What is the InChIKey of 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine?
The InChIKey is UXWLOXXTIXYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-12(11-17-6-8-18-9-7-17)14(16)5-3-4-13(15)10-14/h3-5,12H,2,6-11,15-16H2,1H3.
What are the key properties of 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine?
1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine has a molecular weight of 251.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylbutan-2-yl)cyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 154501436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).