N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine

C11H27BN2O — CID 91001756

IUPACN-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine
SMILESCB(O)NCC1CCCCC1.CCNC
InChIInChI=1S/C8H18BNO.C3H9N/c1-9(11)10-7-8-5-3-2-4-6-8;1-3-4-2/h8,10-11H,2-7H2,1H3;4H,3H2,1-2H3
InChIKeyAJAGTWXAGACLFF-UHFFFAOYSA-N
MW214.16 g/mol
LogP1.49
Rot. Bonds4

About N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine

N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine (PubChem CID 91001756) has the molecular formula C11H27BN2O and a molecular weight of 214.16 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine
PubChem CID91001756
Molecular FormulaC11H27BN2O
Molecular Weight214.16 g/mol
Exact Mass214.22
IUPAC NameN-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine
SMILESCB(O)NCC1CCCCC1.CCNC
InChIInChI=1S/C8H18BNO.C3H9N/c1-9(11)10-7-8-5-3-2-4-6-8;1-3-4-2/h8,10-11H,2-7H2,1H3;4H,3H2,1-2H3
InChIKeyAJAGTWXAGACLFF-UHFFFAOYSA-N
XLogP1.49
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine?
The IUPAC name of N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine (CID 91001756) is N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine is CB(O)NCC1CCCCC1.CCNC.
What is the InChIKey of N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine?
The InChIKey is AJAGTWXAGACLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BNO.C3H9N/c1-9(11)10-7-8-5-3-2-4-6-8;1-3-4-2/h8,10-11H,2-7H2,1H3;4H,3H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine?
N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine has a molecular weight of 214.16 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-methylboronamidic acid;N-methylethanamine is sourced from PubChem (CID 91001756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).