N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide

C14H30N4O — CID 111494828

IUPACN,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CCN/C(=N\CC(=O)N(C)C)NCC(C)C
InChIInChI=1S/C14H30N4O/c1-11(2)7-8-15-14(16-9-12(3)4)17-10-13(19)18(5)6/h11-12H,7-10H2,1-6H3,(H2,15,16,17)
InChIKeyYAFOBTBPDNKRNF-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.31
Rot. Bonds7

About N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide (PubChem CID 111494828) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
PubChem CID111494828
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC NameN,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
SMILESCC(C)CCN/C(=N\CC(=O)N(C)C)NCC(C)C
InChIInChI=1S/C14H30N4O/c1-11(2)7-8-15-14(16-9-12(3)4)17-10-13(19)18(5)6/h11-12H,7-10H2,1-6H3,(H2,15,16,17)
InChIKeyYAFOBTBPDNKRNF-UHFFFAOYSA-N
XLogP1.31
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.31
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

2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126
2-[[(3-ethoxypropylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110978831
N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
CID 110034777
N,N-dimethyl-2-[[(2-methylpropylamino)-(6-methylsulfanylhexylamino)methylidene]amino]acetamide
CID 110033867
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110037260
2-[[butylamino-(4-methylpentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364190
2-[[(cyclopentylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494906
2-[[(2-methoxyethylamino)-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111544849
2-[[[2-(4-methoxyphenyl)ethylamino]-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494788
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047686
2-[[[2-(3-fluorophenyl)ethylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777670
2-[[(cyclohexylmethylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767470

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide (CID 111494828) is N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide is CC(C)CCN/C(=N\CC(=O)N(C)C)NCC(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide?
The InChIKey is YAFOBTBPDNKRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-11(2)7-8-15-14(16-9-12(3)4)17-10-13(19)18(5)6/h11-12H,7-10H2,1-6H3,(H2,15,16,17).
What are the key properties of N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.31, 7 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-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111494828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).