N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide

C13H26N2O2 — CID 65152668

IUPACN-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCC(CCN)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H26N2O2/c1-5-11(6-7-14)15-13(16)12-8(2)9(3)17-10(12)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyYPAFFYJKKCSAGJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide

N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65152668) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65152668
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCCC(CCN)NC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C13H26N2O2/c1-5-11(6-7-14)15-13(16)12-8(2)9(3)17-10(12)4/h8-12H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyYPAFFYJKKCSAGJ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152322
N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
N-(1-chloro-4-methylpentan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 113272545
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
N-[3-(aminomethyl)pentan-3-yl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160193
(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
CID 65156844
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65156517
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 115309214
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106140226
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614
N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethyloxolane-3-carboxamide
CID 114305647
2,4,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
CID 114167912

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65152668) is N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide is CCC(CCN)NC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is YPAFFYJKKCSAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-11(6-7-14)15-13(16)12-8(2)9(3)17-10(12)4/h8-12H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65152668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).