2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide

C16H31N3O2 — CID 135129548

IUPAC2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)CON(C)CCC(C)(N)CC(C)C
InChIInChI=1S/C16H31N3O2/c1-7-9-18-15(20)14(4)12-21-19(6)10-8-16(5,17)11-13(2)3/h7,13H,1,4,8-12,17H2,2-3,5-6H3,(H,18,20)
InChIKeyVTCQYSXLMIWTOV-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.86
Rot. Bonds11

About 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide

2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide (PubChem CID 135129548) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide
PubChem CID135129548
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)CON(C)CCC(C)(N)CC(C)C
InChIInChI=1S/C16H31N3O2/c1-7-9-18-15(20)14(4)12-21-19(6)10-8-16(5,17)11-13(2)3/h7,13H,1,4,8-12,17H2,2-3,5-6H3,(H,18,20)
InChIKeyVTCQYSXLMIWTOV-UHFFFAOYSA-N
XLogP1.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
N-prop-2-enyl-2-(2,4,6-trimethyloctan-2-yloxymethyl)prop-2-enamide
CID 135129592
2-(prop-2-enylcarbamoyl)prop-2-enyl hydrogen sulfate
CID 87188026
N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide
CID 170519638
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
2-propan-2-yloxy-N-prop-2-enylacetamide
CID 112686662
1-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-prop-2-enylurea
CID 95351070
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate
CID 62025889
2-methoxy-N-prop-2-enylpropanamide
CID 100983783

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide (CID 135129548) is 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide is C=CCNC(=O)C(=C)CON(C)CCC(C)(N)CC(C)C.
What is the InChIKey of 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is VTCQYSXLMIWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-7-9-18-15(20)14(4)12-21-19(6)10-8-16(5,17)11-13(2)3/h7,13H,1,4,8-12,17H2,2-3,5-6H3,(H,18,20).
What are the key properties of 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide?
2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 297.44 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-amino-3,5-dimethylhexyl)-methylamino]oxymethyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 135129548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).