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

C14H28N2O2 — CID 114164082

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCC(CC)(CC)CN
InChIInChI=1S/C14H28N2O2/c1-4-12-11(7-8-18-12)13(17)16-10-14(5-2,6-3)9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyAICODZBWACWOFE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds7

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

N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide (PubChem CID 114164082) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide
PubChem CID114164082
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCC(CC)(CC)CN
InChIInChI=1S/C14H28N2O2/c1-4-12-11(7-8-18-12)13(17)16-10-14(5-2,6-3)9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyAICODZBWACWOFE-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(2-ethyl-2-hydroxybutyl)oxolane-3-carboxamide
CID 114104231
N-(4-bromo-2,2-dimethylbutyl)-2-ethyloxolane-3-carboxamide
CID 106143568
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
2-ethyl-N-(6-hydroxyhexyl)oxolane-3-carboxamide
CID 114104255
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
2-ethyl-N-(1H-pyrrol-3-ylmethyl)oxolane-3-carboxamide
CID 106386035
N-[(3-aminophenyl)methyl]-2-ethyloxolane-3-carboxamide
CID 114105082
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
CID 114104996
4-[(2-ethyloxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 114105199
N-(3-bromo-4-methoxybutyl)-2-ethyloxolane-3-carboxamide
CID 106244922
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
CID 114164712

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide (CID 114164082) is N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)NCC(CC)(CC)CN.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide?
The InChIKey is AICODZBWACWOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-12-11(7-8-18-12)13(17)16-10-14(5-2,6-3)9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethyloxolane-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 7 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]-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 114164082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).