N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide

C12H26N2O — CID 23553911

IUPACN-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide
SMILESCCN(C)CCCNC(=O)C(C)(C)CC
InChIInChI=1S/C12H26N2O/c1-6-12(3,4)11(15)13-9-8-10-14(5)7-2/h6-10H2,1-5H3,(H,13,15)
InChIKeyJVMCRFZIPKGANT-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds7

About N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide

N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide (PubChem CID 23553911) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide
PubChem CID23553911
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide
SMILESCCN(C)CCCNC(=O)C(C)(C)CC
InChIInChI=1S/C12H26N2O/c1-6-12(3,4)11(15)13-9-8-10-14(5)7-2/h6-10H2,1-5H3,(H,13,15)
InChIKeyJVMCRFZIPKGANT-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide (CID 23553911) is N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide is CCN(C)CCCNC(=O)C(C)(C)CC.
What is the InChIKey of N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide?
The InChIKey is JVMCRFZIPKGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-12(3,4)11(15)13-9-8-10-14(5)7-2/h6-10H2,1-5H3,(H,13,15).
What are the key properties of N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide?
N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]propyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 23553911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).