N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide

C14H31N3O — CID 54022406

IUPACN-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCCCCCCCN(C)C
InChIInChI=1S/C14H31N3O/c1-15-13-14(18)17(4)12-10-8-6-5-7-9-11-16(2)3/h15H,5-13H2,1-4H3
InChIKeyCJRMQIMEISYACR-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.57
Rot. Bonds11

About N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide

N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 54022406) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide
PubChem CID54022406
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCCCCCCCN(C)C
InChIInChI=1S/C14H31N3O/c1-15-13-14(18)17(4)12-10-8-6-5-7-9-11-16(2)3/h15H,5-13H2,1-4H3
InChIKeyCJRMQIMEISYACR-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[methyl-[2-(methylamino)acetyl]amino]butanoate
CID 60947887
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776
N,N'-bis[3-(dimethylamino)propyl]-N,N'-dimethyl-3-oxopentanediamide
CID 20664951
N-(3,3-dimethylbutyl)-N-methyl-2-(methylamino)acetamide
CID 115152053
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
N-[2-(3-methoxypropoxy)ethyl]-N-methyl-2-(methylamino)acetamide
CID 120705711
N-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 81056033
7-(dimethylamino)-N-[3-[ethyl(methyl)amino]propyl]-N-methylheptanamide
CID 168959154
2-(tert-butylamino)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107199146
6-(dimethylamino)-N-methylhexanamide
CID 58019688
N-hydroxy-N-methyl-2-(methylamino)acetamide
CID 131096928
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758

Frequently Asked Questions

What is the IUPAC name of N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide (CID 54022406) is N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)CCCCCCCCN(C)C.
What is the InChIKey of N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is CJRMQIMEISYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-15-13-14(18)17(4)12-10-8-6-5-7-9-11-16(2)3/h15H,5-13H2,1-4H3.
What are the key properties of N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide?
N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 257.42 g/mol, XLogP of 1.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(dimethylamino)octyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 54022406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).