N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide

C13H24N2O2 — CID 81327458

IUPACN-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC2(CN)CCCCC2)O1
InChIInChI=1S/C13H24N2O2/c1-10-5-6-11(17-10)12(16)15-13(9-14)7-3-2-4-8-13/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyYPYZTPCXCAVMDC-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.33
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide

N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide (PubChem CID 81327458) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
PubChem CID81327458
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NC2(CN)CCCCC2)O1
InChIInChI=1S/C13H24N2O2/c1-10-5-6-11(17-10)12(16)15-13(9-14)7-3-2-4-8-13/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyYPYZTPCXCAVMDC-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
CID 114304382
2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 120521391
N-[1-(aminomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475793
N-[1-(aminomethyl)cyclohexyl]-1,4-dioxane-2-carboxamide
CID 63755659
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide
CID 103969599
(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120793811
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807
N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106297417
N-[1-(aminomethyl)cyclopentyl]-2-[(4-methylcyclohexyl)sulfamoyl]acetamide;hydrochloride
CID 119568443
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583
(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945188

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide (CID 81327458) is N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NC2(CN)CCCCC2)O1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide?
The InChIKey is YPYZTPCXCAVMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-5-6-11(17-10)12(16)15-13(9-14)7-3-2-4-8-13/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide?
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81327458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).