N-(5-aminopentyl)-N-methyloxolane-3-carboxamide

C11H22N2O2 — CID 107206578

IUPACN-(5-aminopentyl)-N-methyloxolane-3-carboxamide
SMILESCN(CCCCCN)C(=O)C1CCOC1
InChIInChI=1S/C11H22N2O2/c1-13(7-4-2-3-6-12)11(14)10-5-8-15-9-10/h10H,2-9,12H2,1H3
InChIKeyXVPUPALRHIHNMH-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds6

About N-(5-aminopentyl)-N-methyloxolane-3-carboxamide

N-(5-aminopentyl)-N-methyloxolane-3-carboxamide (PubChem CID 107206578) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methyloxolane-3-carboxamide
PubChem CID107206578
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(5-aminopentyl)-N-methyloxolane-3-carboxamide
SMILESCN(CCCCCN)C(=O)C1CCOC1
InChIInChI=1S/C11H22N2O2/c1-13(7-4-2-3-6-12)11(14)10-5-8-15-9-10/h10H,2-9,12H2,1H3
InChIKeyXVPUPALRHIHNMH-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
CID 47981255
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-(3-aminopropyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82731736
N-(2-aminoethyl)-N-propan-2-yloxolane-3-carboxamide
CID 61350101
N-(5-aminopentyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107206590
N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79381210
N-(5-aminopentyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107206663
N-(5-aminopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206759
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 63265616
N-butyl-N-methyloxetane-3-carboxamide
CID 176663831

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N-methyloxolane-3-carboxamide (CID 107206578) is N-(5-aminopentyl)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N-methyloxolane-3-carboxamide is CN(CCCCCN)C(=O)C1CCOC1.
What is the InChIKey of N-(5-aminopentyl)-N-methyloxolane-3-carboxamide?
The InChIKey is XVPUPALRHIHNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13(7-4-2-3-6-12)11(14)10-5-8-15-9-10/h10H,2-9,12H2,1H3.
What are the key properties of N-(5-aminopentyl)-N-methyloxolane-3-carboxamide?
N-(5-aminopentyl)-N-methyloxolane-3-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 107206578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).