2-(3-methylbutylamino)-N-propylacetamide

C10H22N2O — CID 28576469

IUPAC2-(3-methylbutylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCCC(C)C
InChIInChI=1S/C10H22N2O/c1-4-6-12-10(13)8-11-7-5-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyBEPDBSHIIKONFQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.15
Rot. Bonds7

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

2-(3-methylbutylamino)-N-propylacetamide (PubChem CID 28576469) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-propylacetamide
PubChem CID28576469
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-(3-methylbutylamino)-N-propylacetamide
SMILESCCCNC(=O)CNCCC(C)C
InChIInChI=1S/C10H22N2O/c1-4-6-12-10(13)8-11-7-5-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyBEPDBSHIIKONFQ-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.15
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-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-(3-methylbutylamino)-N-pentylacetamide
CID 109005799
2-[[(2S)-2-hydroxypropyl]amino]-N-propylacetamide
CID 106931868
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
2-[(4-hydroxy-2-methylbutyl)amino]-N-propylacetamide
CID 66092546
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
N-(3-methylbutyl)-2-[3-(2-methylpropoxy)propylamino]acetamide
CID 113219121
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methylbutyl)acetamide
CID 106309954

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-propylacetamide?
The IUPAC name of 2-(3-methylbutylamino)-N-propylacetamide (CID 28576469) is 2-(3-methylbutylamino)-N-propylacetamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-propylacetamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-propylacetamide is CCCNC(=O)CNCCC(C)C.
What is the InChIKey of 2-(3-methylbutylamino)-N-propylacetamide?
The InChIKey is BEPDBSHIIKONFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-12-10(13)8-11-7-5-9(2)3/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-(3-methylbutylamino)-N-propylacetamide?
2-(3-methylbutylamino)-N-propylacetamide has a molecular weight of 186.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-propylacetamide is sourced from PubChem (CID 28576469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).