2-(3-methylbutylamino)-N-pentylacetamide

C12H26N2O — CID 109005799

IUPAC2-(3-methylbutylamino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNCCC(C)C
InChIInChI=1S/C12H26N2O/c1-4-5-6-8-14-12(15)10-13-9-7-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyNADLAKRMVOGKHG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds9

About 2-(3-methylbutylamino)-N-pentylacetamide

2-(3-methylbutylamino)-N-pentylacetamide (PubChem CID 109005799) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-pentylacetamide
PubChem CID109005799
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(3-methylbutylamino)-N-pentylacetamide
SMILESCCCCCNC(=O)CNCCC(C)C
InChIInChI=1S/C12H26N2O/c1-4-5-6-8-14-12(15)10-13-9-7-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyNADLAKRMVOGKHG-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

2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
N-pentyl-2-(pentylamino)acetamide
CID 109005932
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
6-[[2-(butylamino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289945
N-hexyl-6-methylheptanamide
CID 141197249
N-(8-methylnonyl)-2-(2-methylpropylamino)acetamide
CID 156546991
N-ethyl-2-(pentylamino)acetamide
CID 28569032
N-butyl-N'-pentylpropanediamide
CID 89202031
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-pentylacetamide?
The IUPAC name of 2-(3-methylbutylamino)-N-pentylacetamide (CID 109005799) is 2-(3-methylbutylamino)-N-pentylacetamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-pentylacetamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-pentylacetamide is CCCCCNC(=O)CNCCC(C)C.
What is the InChIKey of 2-(3-methylbutylamino)-N-pentylacetamide?
The InChIKey is NADLAKRMVOGKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-5-6-8-14-12(15)10-13-9-7-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-methylbutylamino)-N-pentylacetamide?
2-(3-methylbutylamino)-N-pentylacetamide 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-methylbutylamino)-N-pentylacetamide is sourced from PubChem (CID 109005799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).