N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide

C12H24N2O2 — CID 106250823

IUPACN-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
SMILESCCC(CC)(CN)CNC(=O)C1CCOC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,8-13)9-14-11(15)10-5-6-16-7-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyGISYIWFCALQEDK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide (PubChem CID 106250823) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
PubChem CID106250823
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
SMILESCCC(CC)(CN)CNC(=O)C1CCOC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,8-13)9-14-11(15)10-5-6-16-7-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyGISYIWFCALQEDK-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide
CID 114164082
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
CID 114758784
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-(2-amino-4,4-dimethylpentyl)oxolane-3-carboxamide
CID 107158348
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide (CID 106250823) is N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide is CCC(CC)(CN)CNC(=O)C1CCOC1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide?
The InChIKey is GISYIWFCALQEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(4-2,8-13)9-14-11(15)10-5-6-16-7-10/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide is sourced from PubChem (CID 106250823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).