N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide

C12H26N2O — CID 138627054

IUPACN-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide
SMILESCCC(C)(CCCCN(C)C(C)=O)NC
InChIInChI=1S/C12H26N2O/c1-6-12(3,13-4)9-7-8-10-14(5)11(2)15/h13H,6-10H2,1-5H3
InChIKeyXMGISGDBWAUFTQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.02
Rot. Bonds7

About N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide

N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide (PubChem CID 138627054) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide
PubChem CID138627054
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide
SMILESCCC(C)(CCCCN(C)C(C)=O)NC
InChIInChI=1S/C12H26N2O/c1-6-12(3,13-4)9-7-8-10-14(5)11(2)15/h13H,6-10H2,1-5H3
InChIKeyXMGISGDBWAUFTQ-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide?
The IUPAC name of N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide (CID 138627054) is N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide.
What is the SMILES notation for N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide?
The canonical SMILES for N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide is CCC(C)(CCCCN(C)C(C)=O)NC.
What is the InChIKey of N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide?
The InChIKey is XMGISGDBWAUFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-12(3,13-4)9-7-8-10-14(5)11(2)15/h13H,6-10H2,1-5H3.
What are the key properties of N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide?
N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide has a molecular weight of 214.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-methyl-5-(methylamino)heptyl]acetamide is sourced from PubChem (CID 138627054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).