1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea

C8H17N5O2 — CID 146032726

IUPAC1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea
SMILESCC(NC(=O)N=C(N)N)N1CCOCC1
InChIInChI=1S/C8H17N5O2/c1-6(11-8(14)12-7(9)10)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H5,9,10,11,12,14)
InChIKeyCQISFWJPJDYFLV-UHFFFAOYSA-N
MW215.26 g/mol
LogP-1.35
Rot. Bonds2

About 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea

1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea (PubChem CID 146032726) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea
PubChem CID146032726
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC Name1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea
SMILESCC(NC(=O)N=C(N)N)N1CCOCC1
InChIInChI=1S/C8H17N5O2/c1-6(11-8(14)12-7(9)10)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H5,9,10,11,12,14)
InChIKeyCQISFWJPJDYFLV-UHFFFAOYSA-N
XLogP-1.35
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-3-(1-pyrrolidin-1-ylethyl)urea
CID 146032720
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 20979566
bis(2-morpholin-4-ylpropanamide);hydrate
CID 175797150
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
(2R)-3-methyl-2-morpholin-4-ylbutanehydrazide
CID 30403760
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
2-amino-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)propanamide
CID 119878462
1-amino-2-(2-morpholin-4-ylpropyl)guanidine
CID 23126903
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
fluoro 2-morpholin-4-ylpropanoate
CID 169191902
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylbutan-2-yl)pentanamide
CID 119878524

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea (CID 146032726) is 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea is CC(NC(=O)N=C(N)N)N1CCOCC1.
What is the InChIKey of 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea?
The InChIKey is CQISFWJPJDYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c1-6(11-8(14)12-7(9)10)13-2-4-15-5-3-13/h6H,2-5H2,1H3,(H5,9,10,11,12,14).
What are the key properties of 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea?
1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea has a molecular weight of 215.26 g/mol, XLogP of -1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-(1-morpholin-4-ylethyl)urea is sourced from PubChem (CID 146032726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).