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

C14H24N4O — CID 110047202

IUPAC2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C14H24N4O/c1-11(2)9-15-14(16-10-13(19)18(3)4)17-12-7-5-6-8-12/h5-6,12H,1,7-10H2,2-4H3,(H2,15,16,17)
InChIKeyIOICLFAHDYOMKR-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.90
Rot. Bonds5

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

2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110047202) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110047202
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C14H24N4O/c1-11(2)9-15-14(16-10-13(19)18(3)4)17-12-7-5-6-8-12/h5-6,12H,1,7-10H2,2-4H3,(H2,15,16,17)
InChIKeyIOICLFAHDYOMKR-UHFFFAOYSA-N
XLogP0.90
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.90
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,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040375
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 91648163
2-[[[(1-cyclopentylpiperidin-4-yl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110039397
2-[[(cyclohexylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047214
2-[[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110038844
2-[[[(1-butylpiperidin-4-yl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040476
2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047238
tert-butyl 3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 110040341
2-[[[[1-(3-methoxypropyl)piperidin-4-yl]amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110040739
tert-butyl 3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate;hydroiodide
CID 110040340
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200
2-[[[[1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045282

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110047202) is 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1.
What is the InChIKey of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is IOICLFAHDYOMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)9-15-14(16-10-13(19)18(3)4)17-12-7-5-6-8-12/h5-6,12H,1,7-10H2,2-4H3,(H2,15,16,17).
What are the key properties of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 264.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110047202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).