N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide

C13H28N4O — CID 110037267

IUPACN,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)C(C)C
InChIInChI=1S/C13H28N4O/c1-7-8-14-13(16-11(4)10(2)3)15-9-12(18)17(5)6/h10-11H,7-9H2,1-6H3,(H2,14,15,16)
InChIKeyCXZKBTQIIJAHNF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.06
Rot. Bonds6

About N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide (PubChem CID 110037267) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
PubChem CID110037267
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)C(C)C
InChIInChI=1S/C13H28N4O/c1-7-8-14-13(16-11(4)10(2)3)15-9-12(18)17(5)6/h10-11H,7-9H2,1-6H3,(H2,14,15,16)
InChIKeyCXZKBTQIIJAHNF-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.06
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'}

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Related Compounds

N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110037266
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492032
2-[[(heptan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111769420
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110037260
2-[[(butan-2-ylamino)-(hexylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545319
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
N,N-dimethyl-2-[[propylamino-[3-[2-(trifluoromethyl)phenyl]butan-2-ylamino]methylidene]amino]acetamide;hydroiodide
CID 110049371
2-[[butylamino-(4-methylpentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364190
2-[[ethylamino-(octan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111212987
2-[[butylamino-[2-[di(propan-2-yl)amino]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111247023

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide (CID 110037267) is N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)NC(C)C(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide?
The InChIKey is CXZKBTQIIJAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-7-8-14-13(16-11(4)10(2)3)15-9-12(18)17(5)6/h10-11H,7-9H2,1-6H3,(H2,14,15,16).
What are the key properties of N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110037267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).