CID 58584354

C9H19BNO2 — CID 58584354

IUPAC—
SMILESC[B]CC(NC)C1COC(C)(C)O1
InChIInChI=1S/C9H19BNO2/c1-9(2)12-6-8(13-9)7(11-4)5-10-3/h7-8,11H,5-6H2,1-4H3
InChIKeyFSRFIOKVBGAVJS-UHFFFAOYSA-N
MW184.07 g/mol
LogP0.90
Rot. Bonds4

About CID 58584354

CID 58584354 (PubChem CID 58584354) has the molecular formula C9H19BNO2 and a molecular weight of 184.07 g/mol.

Molecular Properties

Compound NameCID 58584354
PubChem CID58584354
Molecular FormulaC9H19BNO2
Molecular Weight184.07 g/mol
Exact Mass184.15
IUPAC Name—
SMILESC[B]CC(NC)C1COC(C)(C)O1
InChIInChI=1S/C9H19BNO2/c1-9(2)12-6-8(13-9)7(11-4)5-10-3/h7-8,11H,5-6H2,1-4H3
InChIKeyFSRFIOKVBGAVJS-UHFFFAOYSA-N
XLogP0.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.07
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 58584354 with MolForge

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

Launch Full Analysis

Related Compounds

[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl](methyl)amine hydrochloride
CID 155943669
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(methyl)amine hydrochloride
CID 165986481
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(ethyl)amine hydrochloride
CID 165998880
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-methylmethanamine
CID 20093911
Oqexxkbgtyuaep-uhfffaoysa-
CID 12887142
(4s,5s)-2,2-Dimethyl-4,5-bis(methylaminomethyl)-1,3-dioxolane
CID 12007967
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine
CID 107386451
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propan-2-amine
CID 12762815
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine
CID 12762816
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine
CID 12762818
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(methyl)amine
CID 22308835
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-methylmethanamine
CID 22308836

Frequently Asked Questions

What is the IUPAC name of CID 58584354?
The IUPAC name of CID 58584354 (CID 58584354) is not available.
What is the SMILES notation for CID 58584354?
The canonical SMILES for CID 58584354 is C[B]CC(NC)C1COC(C)(C)O1.
What is the InChIKey of CID 58584354?
The InChIKey is FSRFIOKVBGAVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BNO2/c1-9(2)12-6-8(13-9)7(11-4)5-10-3/h7-8,11H,5-6H2,1-4H3.
What are the key properties of CID 58584354?
CID 58584354 has a molecular weight of 184.07 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58584354 is sourced from PubChem (CID 58584354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).