N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide

C13H24N2O2 — CID 106123693

IUPACN-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
SMILESNC1CCCC(CNC(=O)C2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c14-12-3-1-2-10(8-12)9-15-13(16)11-4-6-17-7-5-11/h10-12H,1-9,14H2,(H,15,16)
InChIKeyMAQDJEXASDOATB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide

N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide (PubChem CID 106123693) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
PubChem CID106123693
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
SMILESNC1CCCC(CNC(=O)C2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c14-12-3-1-2-10(8-12)9-15-13(16)11-4-6-17-7-5-11/h10-12H,1-9,14H2,(H,15,16)
InChIKeyMAQDJEXASDOATB-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-chlorocyclohexyl)methyl]oxane-4-carboxamide
CID 106132213
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114146486
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106123142
3-(2-aminoethyl)-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63707789
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
2-(3-aminocyclohexyl)-N-(oxolan-3-ylmethyl)acetamide
CID 62825268
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide (CID 106123693) is N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide is NC1CCCC(CNC(=O)C2CCOCC2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide?
The InChIKey is MAQDJEXASDOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-12-3-1-2-10(8-12)9-15-13(16)11-4-6-17-7-5-11/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide?
N-[(3-aminocyclohexyl)methyl]oxane-4-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]oxane-4-carboxamide is sourced from PubChem (CID 106123693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).