1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea

C11H24N4O2 — CID 83120439

IUPAC1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea
SMILESCN(C)C(=O)NCCNCCN1CCOCC1
InChIInChI=1S/C11H24N4O2/c1-14(2)11(16)13-4-3-12-5-6-15-7-9-17-10-8-15/h12H,3-10H2,1-2H3,(H,13,16)
InChIKeyIKNICURCINQIRT-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.82
Rot. Bonds6

About 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea

1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea (PubChem CID 83120439) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea
PubChem CID83120439
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea
SMILESCN(C)C(=O)NCCNCCN1CCOCC1
InChIInChI=1S/C11H24N4O2/c1-14(2)11(16)13-4-3-12-5-6-15-7-9-17-10-8-15/h12H,3-10H2,1-2H3,(H,13,16)
InChIKeyIKNICURCINQIRT-UHFFFAOYSA-N
XLogP-0.82
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethyl-3-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]ethyl]urea
CID 83121176
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
2-[2-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
CID 83120793
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016693

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea (CID 83120439) is 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea is CN(C)C(=O)NCCNCCN1CCOCC1.
What is the InChIKey of 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea?
The InChIKey is IKNICURCINQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-14(2)11(16)13-4-3-12-5-6-15-7-9-17-10-8-15/h12H,3-10H2,1-2H3,(H,13,16).
What are the key properties of 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea?
1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea has a molecular weight of 244.34 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea is sourced from PubChem (CID 83120439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).