(2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide

C13H26N4O2 — CID 163819788

IUPAC(2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](/N=C(\N(C)C)N1CCOCC1)C(C)C
InChIInChI=1S/C13H26N4O2/c1-10(2)11(12(18)14-3)15-13(16(4)5)17-6-8-19-9-7-17/h10-11H,6-9H2,1-5H3,(H,14,18)/b15-13+/t11-/m0/s1
InChIKeyNUJUIKOQUZNPRL-VJSMGTLGSA-N
MW270.38 g/mol
LogP0.01
Rot. Bonds3

About (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide

(2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide (PubChem CID 163819788) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide
PubChem CID163819788
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name(2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](/N=C(\N(C)C)N1CCOCC1)C(C)C
InChIInChI=1S/C13H26N4O2/c1-10(2)11(12(18)14-3)15-13(16(4)5)17-6-8-19-9-7-17/h10-11H,6-9H2,1-5H3,(H,14,18)/b15-13+/t11-/m0/s1
InChIKeyNUJUIKOQUZNPRL-VJSMGTLGSA-N
XLogP0.01
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
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

2-[[(3-fluoropropylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034935
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111671031
2-[[ethylamino-[(3-methyl-2-morpholin-4-ylbutyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111671032
(2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N,3-dimethylbutanamide
CID 142798288
2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N,3-dimethylbutanamide
CID 142798289
2-Methyl-1-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 51131449
2-methyl-1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]guanidine
CID 52532885
2-methyl-1-[(2R)-3-methyl-2-morpholin-4-ylbutyl]guanidine
CID 52532887
N,N-dimethyl-2-[(3-methyl-2-morpholin-4-ylbutyl)carbamoylamino]propanamide
CID 60472023
[3-Methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]urea
CID 60635833
1-(3-Methylbutyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 75532930
N-ethyl-2-[(3-methyl-2-morpholin-4-ylbutyl)carbamoylamino]acetamide
CID 86993819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide (CID 163819788) is (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide is CNC(=O)[C@@H](/N=C(\N(C)C)N1CCOCC1)C(C)C.
What is the InChIKey of (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide?
The InChIKey is NUJUIKOQUZNPRL-VJSMGTLGSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(2)11(12(18)14-3)15-13(16(4)5)17-6-8-19-9-7-17/h10-11H,6-9H2,1-5H3,(H,14,18)/b15-13+/t11-/m0/s1.
What are the key properties of (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide?
(2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide has a molecular weight of 270.38 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[dimethylamino(morpholin-4-yl)methylidene]amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 163819788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).