N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide

C17H32N6O — CID 110044279

IUPACN,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H32N6O/c1-8-9-18-17(19-11-16(24)22(5)6)20-12(2)10-15-13(3)21-23(7)14(15)4/h12H,8-11H2,1-7H3,(H2,18,19,20)
InChIKeyRNCCQLDOFKPJJX-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.00
Rot. Bonds7

About N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide

N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide (PubChem CID 110044279) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide
PubChem CID110044279
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC NameN,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H32N6O/c1-8-9-18-17(19-11-16(24)22(5)6)20-12(2)10-15-13(3)21-23(7)14(15)4/h12H,8-11H2,1-7H3,(H2,18,19,20)
InChIKeyRNCCQLDOFKPJJX-UHFFFAOYSA-N
XLogP1.00
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(butan-2-ylamino)-[3-(1,3,5-trimethylpyrazol-4-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036584
2-[[(2-ethylhexylamino)-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044258
2-[[[2-(furan-2-yl)ethylamino]-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110058024
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide;hydroiodide
CID 110044292
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492032
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
CID 110037267
2-[[(heptan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769420
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110037266
1-(2-hydroxypentyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 111508005
2-[[(butan-2-ylamino)-(hexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545319
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide (CID 110044279) is N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)NC(C)Cc1c(C)nn(C)c1C.
What is the InChIKey of N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide?
The InChIKey is RNCCQLDOFKPJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O/c1-8-9-18-17(19-11-16(24)22(5)6)20-12(2)10-15-13(3)21-23(7)14(15)4/h12H,8-11H2,1-7H3,(H2,18,19,20).
What are the key properties of N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide has a molecular weight of 336.48 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[propylamino-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide is sourced from PubChem (CID 110044279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).