2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide

C16H29N5O2 — CID 110049986

IUPAC2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H29N5O2/c1-4-7-17-16(19-10-15(23)20(2)3)18-9-12-8-14(22)21(11-12)13-5-6-13/h12-13H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeySVLZAKGJHCPRME-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.03
Rot. Bonds7

About 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110049986) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110049986
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H29N5O2/c1-4-7-17-16(19-10-15(23)20(2)3)18-9-12-8-14(22)21(11-12)13-5-6-13/h12-13H,4-11H2,1-3H3,(H2,17,18,19)
InChIKeySVLZAKGJHCPRME-UHFFFAOYSA-N
XLogP0.03
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.03
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'}

Analyze 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(cyclohexylmethylamino)-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049991
2-[[N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049987
2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364983
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
CID 110035637
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
2-[[ethylamino-[(1-propylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364334
2-[[(cyclohexylmethylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491784
N,N-dimethyl-2-[[propylamino-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110035908
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
N,N-dimethyl-2-[[[(1-phenylpyrrolidin-3-yl)amino]-(propylamino)methylidene]amino]acetamide
CID 110040251
N,N-dimethyl-2-[[[(1-phenylpyrrolidin-3-yl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110040250
2-[[butylamino-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111560075

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110049986) is 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide is CCCN/C(=N\CC(=O)N(C)C)NCC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is SVLZAKGJHCPRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-4-7-17-16(19-10-15(23)20(2)3)18-9-12-8-14(22)21(11-12)13-5-6-13/h12-13H,4-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 323.44 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110049986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).