2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide

C14H26N4O — CID 110047238

IUPAC2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C14H26N4O/c1-5-11(2)16-14(15-10-13(19)18(3)4)17-12-8-6-7-9-12/h6-7,11-12H,5,8-10H2,1-4H3,(H2,15,16,17)
InChIKeyZLROHUVVBBYMMB-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.13
Rot. Bonds5

About 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110047238) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110047238
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C14H26N4O/c1-5-11(2)16-14(15-10-13(19)18(3)4)17-12-8-6-7-9-12/h6-7,11-12H,5,8-10H2,1-4H3,(H2,15,16,17)
InChIKeyZLROHUVVBBYMMB-UHFFFAOYSA-N
XLogP1.13
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]acetamide
CID 44288471
2-[(2R)-2,5-dimethyl-2,5-dihydropyrrol-1-yl]-N-(N'-methylcarbamimidoyl)acetamide
CID 44288292
2-[(N-cyclopent-3-en-1-yl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109769552
2-[(N-cyclopent-3-en-1-yl-N'-methylcarbamimidoyl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109769553
2-[[(cyclopent-3-en-1-ylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109770248
2-[[(cyclopent-3-en-1-ylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109770249
1-Hept-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 136275384
1-[(E)-hept-2-enyl]-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 173427794
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 91648163
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 91648164
2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109483706
2-[[ethylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 109483707

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110047238) is 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)NC1CC=CC1.
What is the InChIKey of 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is ZLROHUVVBBYMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-11(2)16-14(15-10-13(19)18(3)4)17-12-8-6-7-9-12/h6-7,11-12H,5,8-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 266.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110047238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).