CID 177158562

C9H16B3NO2 — CID 177158562

IUPAC—
SMILES[B]C([B])([B])OC(C)C1CN(CC)CCO1
InChIInChI=1S/C9H16B3NO2/c1-3-13-4-5-14-8(6-13)7(2)15-9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyYTOZIQIYMSMGDU-UHFFFAOYSA-N
MW202.67 g/mol
LogP-0.77
Rot. Bonds4

About CID 177158562

CID 177158562 (PubChem CID 177158562) has the molecular formula C9H16B3NO2 and a molecular weight of 202.67 g/mol.

Molecular Properties

Compound NameCID 177158562
PubChem CID177158562
Molecular FormulaC9H16B3NO2
Molecular Weight202.67 g/mol
Exact Mass203.15
IUPAC Name—
SMILES[B]C([B])([B])OC(C)C1CN(CC)CCO1
InChIInChI=1S/C9H16B3NO2/c1-3-13-4-5-14-8(6-13)7(2)15-9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyYTOZIQIYMSMGDU-UHFFFAOYSA-N
XLogP-0.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.67
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-ethyl-2-[(1R)-1-methoxyethyl]morpholine
CID 177158500
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-ol
CID 79666860
(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
CID 177187353
1-(4-ethylmorpholin-2-yl)-2-methylpentan-1-ol
CID 107892986
1-(4-ethylmorpholin-2-yl)-3-methylbutan-1-amine
CID 79666356
N-ethyl-1-(4-ethylmorpholin-2-yl)-2,2-dimethylpropan-1-amine
CID 79668725
N-ethyl-1-(4-ethylmorpholin-2-yl)-4-methylpentan-1-amine
CID 79669723
1-(4-ethylmorpholin-2-yl)propylhydrazine
CID 105247603
1-(4-ethylmorpholin-2-yl)-N-methyldecan-1-amine
CID 79666534
N-ethyl-1-(4-ethylmorpholin-2-yl)-4,4-dimethylpentan-1-amine
CID 79669489
[1-(4-ethylmorpholin-2-yl)-3-methylpentyl]hydrazine
CID 105247659
[1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105247461

Frequently Asked Questions

What is the IUPAC name of CID 177158562?
The IUPAC name of CID 177158562 (CID 177158562) is not available.
What is the SMILES notation for CID 177158562?
The canonical SMILES for CID 177158562 is [B]C([B])([B])OC(C)C1CN(CC)CCO1.
What is the InChIKey of CID 177158562?
The InChIKey is YTOZIQIYMSMGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16B3NO2/c1-3-13-4-5-14-8(6-13)7(2)15-9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of CID 177158562?
CID 177158562 has a molecular weight of 202.67 g/mol, XLogP of -0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177158562 is sourced from PubChem (CID 177158562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).