2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide

C15H30N4O2 — CID 110049824

IUPAC2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCCOCC
InChIInChI=1S/C15H30N4O2/c1-7-21-10-8-9-16-15(19(6)12-13(2)3)17-11-14(20)18(4)5/h2,7-12H2,1,3-6H3,(H,16,17)
InChIKeyKTUJNHYZIMBPKJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.95
Rot. Bonds9

About 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110049824) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110049824
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCCOCC
InChIInChI=1S/C15H30N4O2/c1-7-21-10-8-9-16-15(19(6)12-13(2)3)17-11-14(20)18(4)5/h2,7-12H2,1,3-6H3,(H,16,17)
InChIKeyKTUJNHYZIMBPKJ-UHFFFAOYSA-N
XLogP0.95
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[butylamino-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049794
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide
CID 110049814
2-[[[benzyl(methyl)amino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110951579
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110049790
2-[[(3-ethoxypropylamino)-[(4-methoxyphenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111272163
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(2-phenylsulfanylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110049809
2-[[[(3-chlorophenyl)methyl-methylamino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305624
2-[[(3-ethoxypropylamino)-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110042801
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111160108
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126
2-[[(3-ethoxypropylamino)-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110978831

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 110049824) is 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN(C)/C(=N\CC(=O)N(C)C)NCCCOCC.
What is the InChIKey of 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is KTUJNHYZIMBPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-7-21-10-8-9-16-15(19(6)12-13(2)3)17-11-14(20)18(4)5/h2,7-12H2,1,3-6H3,(H,16,17).
What are the key properties of 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 298.43 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110049824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).