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

C14H26N4O — CID 91648164

IUPAC2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C14H26N4O/c1-11(2)9-15-14(16-10-13(19)18(3)4)17-12-7-5-6-8-12/h5-6,11-12H,7-10H2,1-4H3,(H2,15,16,17)
InChIKeyDLXPMHZVVXCCJB-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.98
Rot. Bonds5

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

2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 91648164) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID91648164
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1
InChIInChI=1S/C14H26N4O/c1-11(2)9-15-14(16-10-13(19)18(3)4)17-12-7-5-6-8-12/h5-6,11-12H,7-10H2,1-4H3,(H2,15,16,17)
InChIKeyDLXPMHZVVXCCJB-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
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

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
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 91648163
2-[[ethylamino-[methyl(pent-4-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 109497647
N-[2-[(N-cyclopent-3-en-1-yl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109768516
N-[2-[(N-cyclopent-3-en-1-yl-N'-methylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 109768517
N-[2-[[(cyclopent-3-en-1-ylamino)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 109768518
N-[2-[[(cyclopent-3-en-1-ylamino)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 109768519
N-[2-[(N-cyclopent-3-en-1-yl-N'-methylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109768582
N-[2-[(N-cyclopent-3-en-1-yl-N'-methylcarbamimidoyl)amino]ethyl]-2-methylpropanamide
CID 109768583

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 91648164) is 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is CC(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1.
What is the InChIKey of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DLXPMHZVVXCCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)9-15-14(16-10-13(19)18(3)4)17-12-7-5-6-8-12/h5-6,11-12H,7-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 266.39 g/mol, XLogP of 0.98, 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-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 91648164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).