3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide

C12H24N4O2 — CID 111549720

IUPAC3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)N1CC[C@@H](O)C1
InChIInChI=1S/C12H24N4O2/c1-4-13-12(16-8-6-10(17)9-16)14-7-5-11(18)15(2)3/h10,17H,4-9H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyKRRMLPUENVZOOM-SNVBAGLBSA-N
MW256.35 g/mol
LogP-0.50
Rot. Bonds4

About 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide

3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide (PubChem CID 111549720) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
PubChem CID111549720
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)N1CC[C@@H](O)C1
InChIInChI=1S/C12H24N4O2/c1-4-13-12(16-8-6-10(17)9-16)14-7-5-11(18)15(2)3/h10,17H,4-9H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyKRRMLPUENVZOOM-SNVBAGLBSA-N
XLogP-0.50
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide (CID 111549720) is 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide is CCN/C(=N\CCC(=O)N(C)C)N1CC[C@@H](O)C1.
What is the InChIKey of 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide?
The InChIKey is KRRMLPUENVZOOM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-13-12(16-8-6-10(17)9-16)14-7-5-11(18)15(2)3/h10,17H,4-9H2,1-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide?
3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide has a molecular weight of 256.35 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 111549720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).