N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide

C13H26N4O — CID 110049814

IUPACN,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide
SMILESC=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCC
InChIInChI=1S/C13H26N4O/c1-7-8-14-13(17(6)10-11(2)3)15-9-12(18)16(4)5/h2,7-10H2,1,3-6H3,(H,14,15)
InChIKeyYNQJXKLWAHDVLH-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.94
Rot. Bonds6

About N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide (PubChem CID 110049814) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide
PubChem CID110049814
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide
SMILESC=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCC
InChIInChI=1S/C13H26N4O/c1-7-8-14-13(17(6)10-11(2)3)15-9-12(18)16(4)5/h2,7-10H2,1,3-6H3,(H,14,15)
InChIKeyYNQJXKLWAHDVLH-UHFFFAOYSA-N
XLogP0.94
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.94
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[butylamino-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049794
2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049824
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038353
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110049790
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(2-phenylsulfanylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110049809
2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111160108
N,N-dimethyl-2-[[[methyl-[(3,4,5-trifluorophenyl)methyl]amino]-(propylamino)methylidene]amino]acetamide
CID 110049734
N,N-dimethyl-2-[[[methyl(thiophen-3-ylmethyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110038264
2-[[butylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110043703
2-[[[butyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111158477
2-[[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038169
N,N-dimethyl-2-[[[methyl-[(1-methylpyrrol-2-yl)methyl]amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110047354

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide (CID 110049814) is N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide is C=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCC.
What is the InChIKey of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide?
The InChIKey is YNQJXKLWAHDVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-7-8-14-13(17(6)10-11(2)3)15-9-12(18)16(4)5/h2,7-10H2,1,3-6H3,(H,14,15).
What are the key properties of N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide has a molecular weight of 254.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110049814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).