2-(3-ethylheptylamino)-N-methylacetamide

C12H26N2O — CID 115885339

IUPAC2-(3-ethylheptylamino)-N-methylacetamide
SMILESCCCCC(CC)CCNCC(=O)NC
InChIInChI=1S/C12H26N2O/c1-4-6-7-11(5-2)8-9-14-10-12(15)13-3/h11,14H,4-10H2,1-3H3,(H,13,15)
InChIKeyKZGFVVAMTSKPFE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds9

About 2-(3-ethylheptylamino)-N-methylacetamide

2-(3-ethylheptylamino)-N-methylacetamide (PubChem CID 115885339) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(3-ethylheptylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-ethylheptylamino)-N-methylacetamide
PubChem CID115885339
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(3-ethylheptylamino)-N-methylacetamide
SMILESCCCCC(CC)CCNCC(=O)NC
InChIInChI=1S/C12H26N2O/c1-4-6-7-11(5-2)8-9-14-10-12(15)13-3/h11,14H,4-10H2,1-3H3,(H,13,15)
InChIKeyKZGFVVAMTSKPFE-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(propylamino)acetamide
CID 28586328
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
(2-ethylhexylamino)carbamic acid
CID 151602670
N-[2-(2-ethylhexylamino)ethyl]acetamide
CID 60683101
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
4-ethyl-N-methylnonan-1-amine
CID 174361476
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
5-ethyl-N-propylnonan-1-amine
CID 64504205
2-ethyl-N-pentylhexan-1-amine
CID 43081963
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylheptylamino)-N-methylacetamide?
The IUPAC name of 2-(3-ethylheptylamino)-N-methylacetamide (CID 115885339) is 2-(3-ethylheptylamino)-N-methylacetamide.
What is the SMILES notation for 2-(3-ethylheptylamino)-N-methylacetamide?
The canonical SMILES for 2-(3-ethylheptylamino)-N-methylacetamide is CCCCC(CC)CCNCC(=O)NC.
What is the InChIKey of 2-(3-ethylheptylamino)-N-methylacetamide?
The InChIKey is KZGFVVAMTSKPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-7-11(5-2)8-9-14-10-12(15)13-3/h11,14H,4-10H2,1-3H3,(H,13,15).
What are the key properties of 2-(3-ethylheptylamino)-N-methylacetamide?
2-(3-ethylheptylamino)-N-methylacetamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylheptylamino)-N-methylacetamide is sourced from PubChem (CID 115885339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).