5-(1,1-dimethoxypropan-2-ylamino)pentanamide

C10H22N2O3 — CID 106234795

IUPAC5-(1,1-dimethoxypropan-2-ylamino)pentanamide
SMILESCOC(OC)C(C)NCCCCC(N)=O
InChIInChI=1S/C10H22N2O3/c1-8(10(14-2)15-3)12-7-5-4-6-9(11)13/h8,10,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyZGADOSOFARSSBT-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.24
Rot. Bonds9

About 5-(1,1-dimethoxypropan-2-ylamino)pentanamide

5-(1,1-dimethoxypropan-2-ylamino)pentanamide (PubChem CID 106234795) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(1,1-dimethoxypropan-2-ylamino)pentanamide.

Molecular Properties

Compound Name5-(1,1-dimethoxypropan-2-ylamino)pentanamide
PubChem CID106234795
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name5-(1,1-dimethoxypropan-2-ylamino)pentanamide
SMILESCOC(OC)C(C)NCCCCC(N)=O
InChIInChI=1S/C10H22N2O3/c1-8(10(14-2)15-3)12-7-5-4-6-9(11)13/h8,10,12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyZGADOSOFARSSBT-UHFFFAOYSA-N
XLogP0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(5-amino-5-oxopentyl)amino]butanoic acid
CID 106237220
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
6-(diaminomethylamino)hexanamide
CID 135228414
hexanediamide;methoxymethane
CID 87287786
3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
CID 106309355
5-(hexan-2-ylamino)pentanamide
CID 106234439
methyl 3-[(5-amino-5-oxopentyl)amino]-2-methylpropanoate
CID 106237219
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
ethyl 2-[(5-amino-5-oxopentyl)amino]butanoate
CID 106237052
4-(2,6-dimethylheptan-4-ylamino)butanamide
CID 60863746

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dimethoxypropan-2-ylamino)pentanamide?
The IUPAC name of 5-(1,1-dimethoxypropan-2-ylamino)pentanamide (CID 106234795) is 5-(1,1-dimethoxypropan-2-ylamino)pentanamide.
What is the SMILES notation for 5-(1,1-dimethoxypropan-2-ylamino)pentanamide?
The canonical SMILES for 5-(1,1-dimethoxypropan-2-ylamino)pentanamide is COC(OC)C(C)NCCCCC(N)=O.
What is the InChIKey of 5-(1,1-dimethoxypropan-2-ylamino)pentanamide?
The InChIKey is ZGADOSOFARSSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(10(14-2)15-3)12-7-5-4-6-9(11)13/h8,10,12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 5-(1,1-dimethoxypropan-2-ylamino)pentanamide?
5-(1,1-dimethoxypropan-2-ylamino)pentanamide has a molecular weight of 218.30 g/mol, XLogP of 0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dimethoxypropan-2-ylamino)pentanamide is sourced from PubChem (CID 106234795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).