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

C14H27IN4O — CID 91648163

IUPAC2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1.I
InChIInChI=1S/C14H26N4O.HI/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);1H
InChIKeyVIKAPDJWOZAHDE-UHFFFAOYSA-N
MW394.30 g/mol
LogP1.60
Rot. Bonds5

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

2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 91648163) has the molecular formula C14H27IN4O and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID91648163
Molecular FormulaC14H27IN4O
Molecular Weight394.30 g/mol
Exact Mass394.12
IUPAC Name2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCC(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1.I
InChIInChI=1S/C14H26N4O.HI/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);1H
InChIKeyVIKAPDJWOZAHDE-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 51.60
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(butan-2-ylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047238
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047202
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537
2-[[[(1-benzylpiperidin-4-yl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111180264
2-[[(cyclohexylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047214
N,N-dimethyl-2-[[[[4-(4-methylpiperidin-1-yl)cyclohexyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110048914
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200
N,N-dimethyl-2-[[(2-methylpropylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 111777826
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110037260
2-[[(cyclopent-3-en-1-ylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047195
2-[[(cyclohexylmethylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767470
2-[[(cyclopent-3-en-1-ylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110059657

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 91648163) is 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CC(C)CN/C(=N\CC(=O)N(C)C)NC1CC=CC1.I.
What is the InChIKey of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is VIKAPDJWOZAHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O.HI/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);1H.
What are the key properties of 2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 394.30 g/mol, XLogP of 1.60, 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;hydroiodide is sourced from PubChem (CID 91648163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).