N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide

C12H24N2O4 — CID 144532345

IUPACN,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide
SMILESC/C(=N\[C@@H]1[C@@H](O)[C@H](O)[C@@H]([C@H](C)O)C[C@@H]1O)N(C)C
InChIInChI=1S/C12H24N2O4/c1-6(15)8-5-9(16)10(12(18)11(8)17)13-7(2)14(3)4/h6,8-12,15-18H,5H2,1-4H3/b13-7+/t6-,8+,9-,10-,11+,12+/m0/s1
InChIKeyYCOOJXKEBNNVHA-LIEYRNBGSA-N
MW260.33 g/mol
LogP-1.18
Rot. Bonds2

About N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide

N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide (PubChem CID 144532345) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide
PubChem CID144532345
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC NameN,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide
SMILESC/C(=N\[C@@H]1[C@@H](O)[C@H](O)[C@@H]([C@H](C)O)C[C@@H]1O)N(C)C
InChIInChI=1S/C12H24N2O4/c1-6(15)8-5-9(16)10(12(18)11(8)17)13-7(2)14(3)4/h6,8-12,15-18H,5H2,1-4H3/b13-7+/t6-,8+,9-,10-,11+,12+/m0/s1
InChIKeyYCOOJXKEBNNVHA-LIEYRNBGSA-N
XLogP-1.18
TPSA96.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide with MolForge

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Related Compounds

1-[(1R,2R)-2-tert-butylcyclopropyl]ethanol
CID 67159862
[3,4-dihydroxy-5-(1-hydroxyethyl)cyclohexyl] N,N-dimethylcarbamimidothioate
CID 123378597
(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
CID 57379190
(3aR,4R,5R,6R,7aS)-2-(dimethylamino)-6-[(1S)-1-hydroxyethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-4,5-diol
CID 71258150
(3aR,4S,5S,6S,7aR)-2-(dimethylamino)-6-[(1R)-1-hydroxyethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-4,5-diol
CID 121292575
1-[(1S,2S)-2-(1-hydroxyethyl)cyclopropyl]ethanone
CID 170449125
2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
CID 23443116
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
4,6-ditert-butylcyclohexane-1,3-diol
CID 169017952
2-(2-tert-butylcyclopropyl)propanoic acid
CID 84653839
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
4-amino-2,6-di(propan-2-yl)cyclohexan-1-ol
CID 58351133

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide?
The IUPAC name of N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide (CID 144532345) is N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide is C/C(=N\[C@@H]1[C@@H](O)[C@H](O)[C@@H]([C@H](C)O)C[C@@H]1O)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide?
The InChIKey is YCOOJXKEBNNVHA-LIEYRNBGSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6(15)8-5-9(16)10(12(18)11(8)17)13-7(2)14(3)4/h6,8-12,15-18H,5H2,1-4H3/b13-7+/t6-,8+,9-,10-,11+,12+/m0/s1.
What are the key properties of N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide?
N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide has a molecular weight of 260.33 g/mol, XLogP of -1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(1S,2R,3R,4R,6S)-2,3,6-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclohexyl]ethanimidamide is sourced from PubChem (CID 144532345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).