(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide

C8H16IN3O — CID 134513239

IUPAC(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
SMILESC[C@@H]1CCC(C(=O)NNI)CC1N
InChIInChI=1S/C8H16IN3O/c1-5-2-3-6(4-7(5)10)8(13)11-12-9/h5-7,12H,2-4,10H2,1H3,(H,11,13)/t5-,6?,7?/m1/s1
InChIKeyMKRHWCHIAKDBKN-GRQBKTHUSA-N
MW297.14 g/mol
LogP0.72
Rot. Bonds2

About (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide

(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide (PubChem CID 134513239) has the molecular formula C8H16IN3O and a molecular weight of 297.14 g/mol. Its IUPAC name is (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
PubChem CID134513239
Molecular FormulaC8H16IN3O
Molecular Weight297.14 g/mol
Exact Mass297.03
IUPAC Name(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
SMILESC[C@@H]1CCC(C(=O)NNI)CC1N
InChIInChI=1S/C8H16IN3O/c1-5-2-3-6(4-7(5)10)8(13)11-12-9/h5-7,12H,2-4,10H2,1H3,(H,11,13)/t5-,6?,7?/m1/s1
InChIKeyMKRHWCHIAKDBKN-GRQBKTHUSA-N
XLogP0.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-(4-methylpiperazin-1-yl)cyclohexane-1-carboxamide
CID 83025000
3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
CID 102915394
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
3-amino-N-(1-ethylcyclobutyl)-4-methylcyclohexane-1-carboxamide
CID 113489159
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
CID 62781125
3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106028328
3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601

Frequently Asked Questions

What is the IUPAC name of (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide?
The IUPAC name of (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide (CID 134513239) is (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide.
What is the SMILES notation for (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide?
The canonical SMILES for (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide is C[C@@H]1CCC(C(=O)NNI)CC1N.
What is the InChIKey of (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide?
The InChIKey is MKRHWCHIAKDBKN-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H16IN3O/c1-5-2-3-6(4-7(5)10)8(13)11-12-9/h5-7,12H,2-4,10H2,1H3,(H,11,13)/t5-,6?,7?/m1/s1.
What are the key properties of (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide?
(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide has a molecular weight of 297.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 134513239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).