N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid

C10H22BNO — CID 70641753

IUPACN-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid
SMILESCB(O)N[C@H](C)CC1CCCCC1
InChIInChI=1S/C10H22BNO/c1-9(12-11(2)13)8-10-6-4-3-5-7-10/h9-10,12-13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyDKUMPLINRPPAGT-SECBINFHSA-N
MW183.10 g/mol
LogP2.05
Rot. Bonds4

About N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid

N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid (PubChem CID 70641753) has the molecular formula C10H22BNO and a molecular weight of 183.10 g/mol. Its IUPAC name is N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid.

Molecular Properties

Compound NameN-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid
PubChem CID70641753
Molecular FormulaC10H22BNO
Molecular Weight183.10 g/mol
Exact Mass183.18
IUPAC NameN-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid
SMILESCB(O)N[C@H](C)CC1CCCCC1
InChIInChI=1S/C10H22BNO/c1-9(12-11(2)13)8-10-6-4-3-5-7-10/h9-10,12-13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyDKUMPLINRPPAGT-SECBINFHSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-cyclohexyl-N-methoxypropan-2-amine
CID 54506563
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
CID 163832582
CID 163832582
1-cyclohexyl-N-(1-methoxypropan-2-yl)propan-2-amine
CID 165494362
4-(1-cyclopentylpropan-2-ylamino)cyclohexan-1-ol
CID 103904582
2-(1-cyclopentylpropan-2-ylamino)-2-methylpropan-1-ol
CID 115927491
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167
2,3-dimethylbutylcyclodecane
CID 123220792

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid?
The IUPAC name of N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid (CID 70641753) is N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid.
What is the SMILES notation for N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid?
The canonical SMILES for N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid is CB(O)N[C@H](C)CC1CCCCC1.
What is the InChIKey of N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid?
The InChIKey is DKUMPLINRPPAGT-SECBINFHSA-N. The full InChI is InChI=1S/C10H22BNO/c1-9(12-11(2)13)8-10-6-4-3-5-7-10/h9-10,12-13H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid?
N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid has a molecular weight of 183.10 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyclohexylpropan-2-yl]-methylboronamidic acid is sourced from PubChem (CID 70641753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).