N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide

C18H38N2O — CID 79646027

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C18H38N2O/c1-5-6-7-8-9-10-11-12-13-14-17(21)20(4)16-18(2,3)15-19/h5-16,19H2,1-4H3
InChIKeyCBJQICQEIRPEHR-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.35
Rot. Bonds13

About N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide

N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide (PubChem CID 79646027) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
PubChem CID79646027
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C18H38N2O/c1-5-6-7-8-9-10-11-12-13-14-17(21)20(4)16-18(2,3)15-19/h5-16,19H2,1-4H3
InChIKeyCBJQICQEIRPEHR-UHFFFAOYSA-N
XLogP4.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methylnonanamide
CID 79652123
N-(3-amino-2,2-dimethylpropyl)-N-methylhex-5-enamide;dihydrochloride
CID 119656537
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-amino-2,2-dimethylpropyl)-2-(diethylamino)-N-methylacetamide
CID 119652831
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(3-amino-2,2-dimethylpropyl)-2-[ethylsulfonyl(methyl)amino]-N-methylacetamide
CID 119654183
N-(2-ethyl-2-methylbutyl)-N-methylpentanamide
CID 91117087
N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
CID 119652808

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide (CID 79646027) is N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide is CCCCCCCCCCCC(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide?
The InChIKey is CBJQICQEIRPEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-6-7-8-9-10-11-12-13-14-17(21)20(4)16-18(2,3)15-19/h5-16,19H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide has a molecular weight of 298.51 g/mol, XLogP of 4.35, 13 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-methyldodecanamide is sourced from PubChem (CID 79646027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).