N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide

C13H24N2O2 — CID 114146486

IUPACN-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC2CCCC(N)C2)CO1
InChIInChI=1S/C13H24N2O2/c1-9-5-11(8-17-9)13(16)15-7-10-3-2-4-12(14)6-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyKFYVYEWITNPZQB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide

N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide (PubChem CID 114146486) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
PubChem CID114146486
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC2CCCC(N)C2)CO1
InChIInChI=1S/C13H24N2O2/c1-9-5-11(8-17-9)13(16)15-7-10-3-2-4-12(14)6-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyKFYVYEWITNPZQB-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-5-methyloxolane-3-carboxamide
CID 106127038
N-[(4-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 106124593
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide
CID 114823255
N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106123142
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 106123604
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114826219

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide (CID 114146486) is N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCC2CCCC(N)C2)CO1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
The InChIKey is KFYVYEWITNPZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-5-11(8-17-9)13(16)15-7-10-3-2-4-12(14)6-10/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide?
N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114146486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).