1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide

C13H24N2O2 — CID 97222999

IUPAC1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC[C@@H]2CCCCO2)CCCCC1
InChIInChI=1S/C13H24N2O2/c14-12(16)13(7-3-1-4-8-13)15-10-11-6-2-5-9-17-11/h11,15H,1-10H2,(H2,14,16)/t11-/m0/s1
InChIKeyZLYFQNKNNASOBS-NSHDSACASA-N
MW240.35 g/mol
LogP1.33
Rot. Bonds4

About 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide

1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide (PubChem CID 97222999) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
PubChem CID97222999
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1(NC[C@@H]2CCCCO2)CCCCC1
InChIInChI=1S/C13H24N2O2/c14-12(16)13(7-3-1-4-8-13)15-10-11-6-2-5-9-17-11/h11,15H,1-10H2,(H2,14,16)/t11-/m0/s1
InChIKeyZLYFQNKNNASOBS-NSHDSACASA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

ethyl 1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 54890281
1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide
CID 83269183
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide
CID 167832821
2-(oxan-2-ylmethylamino)ethylurea
CID 83120835
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
methyl 4-methyl-1-(oxolan-2-ylmethylamino)cycloheptane-1-carboxylate
CID 65085366
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide (CID 97222999) is 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide is NC(=O)C1(NC[C@@H]2CCCCO2)CCCCC1.
What is the InChIKey of 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide?
The InChIKey is ZLYFQNKNNASOBS-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N2O2/c14-12(16)13(7-3-1-4-8-13)15-10-11-6-2-5-9-17-11/h11,15H,1-10H2,(H2,14,16)/t11-/m0/s1.
What are the key properties of 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide?
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 97222999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).