N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide

C14H26N2O2 — CID 115706438

IUPACN-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCC1(C)CC(NCCNC(=O)C2CC2)C(C)(C)O1
InChIInChI=1S/C14H26N2O2/c1-13(2)9-11(14(3,4)18-13)15-7-8-16-12(17)10-5-6-10/h10-11,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyIDIDJHDXXKBEMK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds5

About N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115706438) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115706438
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCC1(C)CC(NCCNC(=O)C2CC2)C(C)(C)O1
InChIInChI=1S/C14H26N2O2/c1-13(2)9-11(14(3,4)18-13)15-7-8-16-12(17)10-5-6-10/h10-11,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyIDIDJHDXXKBEMK-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
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

N-(2-cyclopropylethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927409
N-(2-methoxyethyl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 112700248
N-(2-methylpropyl)-2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]acetamide
CID 112568427
3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide
CID 79927028
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
N-[2-[[(1S,2R)-2-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357851
N-[2-[[(1S,3R)-3-methylcyclopentyl]amino]ethyl]cyclopropanecarboxamide
CID 97357833
N-[3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propyl]thiophene-2-carboxamide
CID 75471381
2,2,5,5-tetramethyl-N-[3-(2-methylpropoxy)propyl]oxolan-3-amine
CID 79917065
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556
N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113422916
N-[2-(butylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 108573610

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide (CID 115706438) is N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide is CC1(C)CC(NCCNC(=O)C2CC2)C(C)(C)O1.
What is the InChIKey of N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is IDIDJHDXXKBEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2)9-11(14(3,4)18-13)15-7-8-16-12(17)10-5-6-10/h10-11,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).