N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid

C10H22BNO — CID 54078171

IUPACN-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid
SMILESCB(O)N(C)C[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C10H22BNO/c1-9-5-4-6-10(7-9)8-12(3)11(2)13/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyMLEGECHASHLKEU-ZJUUUORDSA-N
MW183.10 g/mol
LogP1.85
Rot. Bonds3

About N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid

N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid (PubChem CID 54078171) has the molecular formula C10H22BNO and a molecular weight of 183.10 g/mol. Its IUPAC name is N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid.

Molecular Properties

Compound NameN-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid
PubChem CID54078171
Molecular FormulaC10H22BNO
Molecular Weight183.10 g/mol
Exact Mass183.18
IUPAC NameN-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid
SMILESCB(O)N(C)C[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C10H22BNO/c1-9-5-4-6-10(7-9)8-12(3)11(2)13/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyMLEGECHASHLKEU-ZJUUUORDSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-3-methylcyclohexyl]methanol
CID 89207619
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
2-[tert-butyl-[(3-methylcyclohexyl)methyl]amino]acetic acid
CID 79268970
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
(3-methylcyclohexyl)methanamine
CID 18361468
2-methyl-3-(3-methylcyclohexyl)propan-1-ol
CID 57429420
3-methyl-1-(3-methylcyclohexyl)butan-2-ol
CID 79422374
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558

Frequently Asked Questions

What is the IUPAC name of N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid?
The IUPAC name of N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid (CID 54078171) is N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid.
What is the SMILES notation for N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid?
The canonical SMILES for N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid is CB(O)N(C)C[C@H]1CCC[C@@H](C)C1.
What is the InChIKey of N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid?
The InChIKey is MLEGECHASHLKEU-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22BNO/c1-9-5-4-6-10(7-9)8-12(3)11(2)13/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid?
N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid has a molecular weight of 183.10 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethyl-N-[[(1S,3R)-3-methylcyclohexyl]methyl]boronamidic acid is sourced from PubChem (CID 54078171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).