N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide

C11H22N2O2 — CID 65152615

IUPACN-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCN)C1C
InChIInChI=1S/C11H22N2O2/c1-7-8(2)15-9(3)10(7)11(14)13-6-4-5-12/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyXHHXZSJJAVVIPD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.51
Rot. Bonds4

About N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65152615) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65152615
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCN)C1C
InChIInChI=1S/C11H22N2O2/c1-7-8(2)15-9(3)10(7)11(14)13-6-4-5-12/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyXHHXZSJJAVVIPD-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide
CID 65159364
N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155720
N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114171186
N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65159571
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
2,4,5-trimethyl-N-[2-(propylamino)ethyl]oxolane-3-carboxamide
CID 65160186
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106140226
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106306241
N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322
N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152668
N-(3-bromo-4-methoxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106245062
N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65152615) is N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCCCN)C1C.
What is the InChIKey of N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is XHHXZSJJAVVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7-8(2)15-9(3)10(7)11(14)13-6-4-5-12/h7-10H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65152615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).