azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride

C10H23ClN2O2 — CID 174828907

IUPACazane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCCCN(C)C.Cl.N
InChIInChI=1S/C10H19NO2.ClH.H3N/c1-9(2)10(12)13-8-6-5-7-11(3)4;;/h1,5-8H2,2-4H3;1H;1H3
InChIKeyBYTMLGXOCFYEDQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.03
Rot. Bonds6

About azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride

azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride (PubChem CID 174828907) has the molecular formula C10H23ClN2O2 and a molecular weight of 238.76 g/mol. Its IUPAC name is azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride.

Molecular Properties

Compound Nameazane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
PubChem CID174828907
Molecular FormulaC10H23ClN2O2
Molecular Weight238.76 g/mol
Exact Mass238.14
IUPAC Nameazane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride
SMILESC=C(C)C(=O)OCCCCN(C)C.Cl.N
InChIInChI=1S/C10H19NO2.ClH.H3N/c1-9(2)10(12)13-8-6-5-7-11(3)4;;/h1,5-8H2,2-4H3;1H;1H3
InChIKeyBYTMLGXOCFYEDQ-UHFFFAOYSA-N
XLogP2.03
TPSA64.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride 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

8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
6-(dimethylamino)-2-methylhex-2-enoic acid;3-(dimethylamino)propyl 2-methylprop-2-enoate
CID 158407090

Frequently Asked Questions

What is the IUPAC name of azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride?
The IUPAC name of azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride (CID 174828907) is azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride.
What is the SMILES notation for azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride?
The canonical SMILES for azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride is C=C(C)C(=O)OCCCCN(C)C.Cl.N.
What is the InChIKey of azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride?
The InChIKey is BYTMLGXOCFYEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH.H3N/c1-9(2)10(12)13-8-6-5-7-11(3)4;;/h1,5-8H2,2-4H3;1H;1H3.
What are the key properties of azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride?
azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride has a molecular weight of 238.76 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(dimethylamino)butyl 2-methylprop-2-enoate;hydrochloride is sourced from PubChem (CID 174828907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).