4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide

C13H24N2O3 — CID 107221619

IUPAC4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
SMILESNCC1(C(=O)N[C@H]2CCCC[C@@H]2O)CCOCC1
InChIInChI=1S/C13H24N2O3/c14-9-13(5-7-18-8-6-13)12(17)15-10-3-1-2-4-11(10)16/h10-11,16H,1-9,14H2,(H,15,17)/t10-,11-/m0/s1
InChIKeyXSNGBXGFPUUAOA-QWRGUYRKSA-N
MW256.35 g/mol
LogP0.16
Rot. Bonds3

About 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide (PubChem CID 107221619) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
PubChem CID107221619
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
SMILESNCC1(C(=O)N[C@H]2CCCC[C@@H]2O)CCOCC1
InChIInChI=1S/C13H24N2O3/c14-9-13(5-7-18-8-6-13)12(17)15-10-3-1-2-4-11(10)16/h10-11,16H,1-9,14H2,(H,15,17)/t10-,11-/m0/s1
InChIKeyXSNGBXGFPUUAOA-QWRGUYRKSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
1-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 94415546
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
CID 79870065
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-N-(2-tert-butylcyclohexyl)cyclopropane-1-carboxamide
CID 113312745
1-amino-N-(2-hydroxycycloheptyl)cyclohexane-1-carboxamide
CID 113394747
4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide
CID 115439051
4-(aminomethyl)oxane-4-carbohydrazide
CID 115439594
4-(aminomethyl)-N-(2-benzylcyclopropyl)oxane-4-carboxamide
CID 120935074
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide (CID 107221619) is 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide is NCC1(C(=O)N[C@H]2CCCC[C@@H]2O)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide?
The InChIKey is XSNGBXGFPUUAOA-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O3/c14-9-13(5-7-18-8-6-13)12(17)15-10-3-1-2-4-11(10)16/h10-11,16H,1-9,14H2,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 107221619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).