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

C13H22N2O2 — CID 65151428

IUPACN-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCCC(CCN)NC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H22N2O2/c1-5-11(6-7-14)15-13(16)12-8(2)9(3)17-10(12)4/h11H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyHMXGSJMQFLFVLX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.06
Rot. Bonds5

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

N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65151428) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65151428
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCCC(CCN)NC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C13H22N2O2/c1-5-11(6-7-14)15-13(16)12-8(2)9(3)17-10(12)4/h11H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyHMXGSJMQFLFVLX-UHFFFAOYSA-N
XLogP2.06
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 106356736
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057575
N-(1-aminopentan-3-yl)furan-2-carboxamide
CID 62653791
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 114305810
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 114305466
N-(1-aminopentan-3-yl)furan-3-carboxamide
CID 62653057
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
N-(1-hydroxypentan-3-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115767467
N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide
CID 79749483

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide (CID 65151428) is N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-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-trimethylfuran-3-carboxamide?
The InChIKey is HMXGSJMQFLFVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-11(6-7-14)15-13(16)12-8(2)9(3)17-10(12)4/h11H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide?
N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.06, 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-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65151428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).