N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide

C13H24N2O2 — CID 106123142

IUPACN-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C13H24N2O2/c1-9-12(5-6-17-9)13(16)15-8-10-3-2-4-11(14)7-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyOVQLSUNOMVPCPL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.05
Rot. Bonds3

About N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide

N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide (PubChem CID 106123142) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
PubChem CID106123142
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C13H24N2O2/c1-9-12(5-6-17-9)13(16)15-8-10-3-2-4-11(14)7-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyOVQLSUNOMVPCPL-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-[(4-bromocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106134904
N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114146486
N-[(3-aminocyclohexyl)methyl]oxane-4-carboxamide
CID 106123693
N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
CID 114303020
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823
methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate
CID 103493206

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide (CID 106123142) is N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide?
The InChIKey is OVQLSUNOMVPCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-12(5-6-17-9)13(16)15-8-10-3-2-4-11(14)7-10/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide?
N-[(3-aminocyclohexyl)methyl]-2-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]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 106123142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).