2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

C17H30N6O — CID 111279499

IUPAC2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCCCn1nc(C)cc1C
InChIInChI=1S/C17H30N6O/c1-13(2)11-19-17(20-12-16(24)22(5)6)18-8-7-9-23-15(4)10-14(3)21-23/h10H,1,7-9,11-12H2,2-6H3,(H2,18,19,20)
InChIKeyCEDPTQHJNVHECM-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.09
Rot. Bonds8

About 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111279499) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111279499
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NCCCn1nc(C)cc1C
InChIInChI=1S/C17H30N6O/c1-13(2)11-19-17(20-12-16(24)22(5)6)18-8-7-9-23-15(4)10-14(3)21-23/h10H,1,7-9,11-12H2,2-6H3,(H2,18,19,20)
InChIKeyCEDPTQHJNVHECM-UHFFFAOYSA-N
XLogP1.09
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111861396
2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111500730
2-[[(3-methoxypropylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975874
2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500723
2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111280527
1,3-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111278100
1-[[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570185
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]acetamide
CID 111796857
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
CID 110035761
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111778581
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-piperidin-1-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111364098

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111279499) is 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NCCCn1nc(C)cc1C.
What is the InChIKey of 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is CEDPTQHJNVHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-13(2)11-19-17(20-12-16(24)22(5)6)18-8-7-9-23-15(4)10-14(3)21-23/h10H,1,7-9,11-12H2,2-6H3,(H2,18,19,20).
What are the key properties of 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 334.47 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111279499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).