5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide

C13H26N2O2 — CID 115325352

IUPAC5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
SMILESCC(C)CCCCNC(=O)C1CCC(CN)O1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-3-4-8-15-13(16)12-7-6-11(9-14)17-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyKUVGUECXPBSASJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide (PubChem CID 115325352) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
PubChem CID115325352
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
SMILESCC(C)CCCCNC(=O)C1CCC(CN)O1
InChIInChI=1S/C13H26N2O2/c1-10(2)5-3-4-8-15-13(16)12-7-6-11(9-14)17-12/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyKUVGUECXPBSASJ-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
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-[3-(Methylamino)propyl]oxolane-2-carboxamide
CID 10535559
N,N-diethyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 118741574
N-(2-methylpropyl)oxolane-2-carboxamide
CID 3307864
Cyclopentanecarboxamide, N-tetrahydrofurfuryl-
CID 531882
5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide hydrochloride
CID 71758099
N-(3-Aminopropyl)tetrahydro-N-methyl-2-furancarboxamide
CID 18358924
N-(2-Methylcyclohexyl)oxolane-2-carboxamide
CID 42910855
N-[2-(diethylamino)ethyl]oxolane-2-carboxamide
CID 47005342
N-(2-hydroxy-3,3-dimethylbutyl)-5-methyloxolane-2-carboxamide
CID 112334510
(2R)-N-(2-cyclopropyl-2-methoxypropyl)oxolane-2-carboxamide
CID 121568351
N-[(5-carbamoyloxolan-2-yl)methyl]-2,3-dimethylpiperidine-1-carboxamide
CID 121586163
(2R,3R,4S,5R)-N,3,4,5-tetramethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 166160607

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide (CID 115325352) is 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide is CC(C)CCCCNC(=O)C1CCC(CN)O1.
What is the InChIKey of 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide?
The InChIKey is KUVGUECXPBSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)5-3-4-8-15-13(16)12-7-6-11(9-14)17-12/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide is sourced from PubChem (CID 115325352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).