N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide

C12H24N2O — CID 162373354

IUPACN-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)NCCCN(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10(12(2,3)4)11(15)13-8-7-9-14(5)6/h1,7-9H2,2-6H3,(H,13,15)
InChIKeyCAIZVDDCAFLRAT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.66
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide

N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide (PubChem CID 162373354) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
PubChem CID162373354
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide
SMILESC=C(C(=O)NCCCN(C)C)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10(12(2,3)4)11(15)13-8-7-9-14(5)6/h1,7-9H2,2-6H3,(H,13,15)
InChIKeyCAIZVDDCAFLRAT-UHFFFAOYSA-N
XLogP1.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide 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

N-(2-aminoethyl)-3,3-dimethyl-2-methylidenebutanamide
CID 90944111
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
N-[3-(dimethylamino)propyl]prop-2-ynamide
CID 126549211
N',N'-dimethyl-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]propane-1,3-diamine
CID 89033616
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 139534789
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea
CID 43384796
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 43316357
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide (CID 162373354) is N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide is C=C(C(=O)NCCCN(C)C)C(C)(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide?
The InChIKey is CAIZVDDCAFLRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(12(2,3)4)11(15)13-8-7-9-14(5)6/h1,7-9H2,2-6H3,(H,13,15).
What are the key properties of N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide?
N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3,3-dimethyl-2-methylidenebutanamide is sourced from PubChem (CID 162373354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).