N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride

C12H26Cl2N2O — CID 119656537

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride
SMILESC=CCCCC(=O)N(C)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C12H24N2O.2ClH/c1-5-6-7-8-11(15)14(4)10-12(2,3)9-13;;/h5H,1,6-10,13H2,2-4H3;2*1H
InChIKeyYVLAQJIOCGVIKE-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.63
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride (PubChem CID 119656537) has the molecular formula C12H26Cl2N2O and a molecular weight of 285.26 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride
PubChem CID119656537
Molecular FormulaC12H26Cl2N2O
Molecular Weight285.26 g/mol
Exact Mass284.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride
SMILESC=CCCCC(=O)N(C)CC(C)(C)CN.Cl.Cl
InChIInChI=1S/C12H24N2O.2ClH/c1-5-6-7-8-11(15)14(4)10-12(2,3)9-13;;/h5H,1,6-10,13H2,2-4H3;2*1H
InChIKeyYVLAQJIOCGVIKE-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride 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-(3-amino-2,2-dimethylpropyl)-N-methylbut-3-enamide
CID 79653171
N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027
N-(3-amino-2,2-dimethylpropyl)-N,5-dimethylhexanamide
CID 115272569
4-amino-N,4-dimethyl-N-pent-4-enylpentanamide
CID 115740355
N-(3-amino-2,2-dimethylpropyl)-N-methylbut-2-enamide
CID 115278744
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 119652528
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(3-amino-2,2-dimethylpropyl)-3-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 119652327

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride (CID 119656537) is N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride is C=CCCCC(=O)N(C)CC(C)(C)CN.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride?
The InChIKey is YVLAQJIOCGVIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2ClH/c1-5-6-7-8-11(15)14(4)10-12(2,3)9-13;;/h5H,1,6-10,13H2,2-4H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride has a molecular weight of 285.26 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride is sourced from PubChem (CID 119656537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).