CID 157364506

C26H53B3N3 — CID 157364506

IUPAC—
SMILESC.C.CN1C2CCCC1CC2.CN1C2CCCC1CC2.CN1C2CCCC1CC2.[B].[B].[B]
InChIInChI=1S/3C8H15N.2CH4.3B/c3*1-9-7-3-2-4-8(9)6-5-7;;;;;/h3*7-8H,2-6H2,1H3;2*1H4;;;
InChIKeyNDYXQVLTTRYLCC-UHFFFAOYSA-N
MW440.17 g/mol
LogP5.03
Rot. Bonds

About CID 157364506

CID 157364506 (PubChem CID 157364506) has the molecular formula C26H53B3N3 and a molecular weight of 440.17 g/mol.

Molecular Properties

Compound NameCID 157364506
PubChem CID157364506
Molecular FormulaC26H53B3N3
Molecular Weight440.17 g/mol
Exact Mass440.45
IUPAC Name—
SMILESC.C.CN1C2CCCC1CC2.CN1C2CCCC1CC2.CN1C2CCCC1CC2.[B].[B].[B]
InChIInChI=1S/3C8H15N.2CH4.3B/c3*1-9-7-3-2-4-8(9)6-5-7;;;;;/h3*7-8H,2-6H2,1H3;2*1H4;;;
InChIKeyNDYXQVLTTRYLCC-UHFFFAOYSA-N
XLogP5.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.17
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 157364506 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

methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
8-methyl-8-azabicyclo[3.2.1]octane;2-methylpropane
CID 177033285
11-methyl-11-azabicyclo[4.4.1]undecane
CID 580203
(7S)-12-methyl-12-azabicyclo[5.4.1]dodecane
CID 126565755
(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
(1S)-10-methyl-2-oxa-10-azatricyclo[9.6.2.23,9]henicosane
CID 170097259
(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane
CID 143603452
1-azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
CID 157076819
10-methyl-10-azatricyclo[9.6.2.12,9]icosane
CID 134213267
8-cyclobutyl-8-azabicyclo[3.2.1]octane
CID 23151234
1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone
CID 70331158

Frequently Asked Questions

What is the IUPAC name of CID 157364506?
The IUPAC name of CID 157364506 (CID 157364506) is not available.
What is the SMILES notation for CID 157364506?
The canonical SMILES for CID 157364506 is C.C.CN1C2CCCC1CC2.CN1C2CCCC1CC2.CN1C2CCCC1CC2.[B].[B].[B].
What is the InChIKey of CID 157364506?
The InChIKey is NDYXQVLTTRYLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H15N.2CH4.3B/c3*1-9-7-3-2-4-8(9)6-5-7;;;;;/h3*7-8H,2-6H2,1H3;2*1H4;;;.
What are the key properties of CID 157364506?
CID 157364506 has a molecular weight of 440.17 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157364506 is sourced from PubChem (CID 157364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).