CID 166489215

C18H42B2N4 — CID 166489215

IUPAC—
SMILESCC.CC.[B]N1CC(C)N(C)CC1C.[B]N1CCN(C)C(C)C1C
InChIInChI=1S/2C7H15BN2.2C2H6/c1-6-5-10(8)7(2)4-9(6)3;1-6-7(2)10(8)5-4-9(6)3;2*1-2/h2*6-7H,4-5H2,1-3H3;2*1-2H3
InChIKeyRBTNNWYTBQKOIM-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.24
Rot. Bonds

About CID 166489215

CID 166489215 (PubChem CID 166489215) has the molecular formula C18H42B2N4 and a molecular weight of 336.19 g/mol.

Molecular Properties

Compound NameCID 166489215
PubChem CID166489215
Molecular FormulaC18H42B2N4
Molecular Weight336.19 g/mol
Exact Mass336.36
IUPAC Name—
SMILESCC.CC.[B]N1CC(C)N(C)CC1C.[B]N1CCN(C)C(C)C1C
InChIInChI=1S/2C7H15BN2.2C2H6/c1-6-5-10(8)7(2)4-9(6)3;1-6-7(2)10(8)5-4-9(6)3;2*1-2/h2*6-7H,4-5H2,1-3H3;2*1-2H3
InChIKeyRBTNNWYTBQKOIM-UHFFFAOYSA-N
XLogP2.24
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
1,2,3,4-tetramethylpiperazine
CID 66583347
ethane;(2S)-1,2,4-trimethylpiperazine
CID 90960926
1,4-dimethylpiperazine;(2S)-1,2,4-trimethylpiperazine
CID 145359851
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
1,3,4-trimethylimidazolidine
CID 13109377
(2S)-4-(3-methoxypropyl)-1,2-dimethylpiperazine
CID 166658455
(2R,3R)-1,2,3-trimethyl-4-propan-2-ylpiperazine
CID 139548079
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
ethane;(2R)-1,2,4-trimethyl-1,4-diazepane
CID 142347964
2,3,4-trimethylpiperazine-1-carbaldehyde
CID 166140689
(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine
CID 166870881

Frequently Asked Questions

What is the IUPAC name of CID 166489215?
The IUPAC name of CID 166489215 (CID 166489215) is not available.
What is the SMILES notation for CID 166489215?
The canonical SMILES for CID 166489215 is CC.CC.[B]N1CC(C)N(C)CC1C.[B]N1CCN(C)C(C)C1C.
What is the InChIKey of CID 166489215?
The InChIKey is RBTNNWYTBQKOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15BN2.2C2H6/c1-6-5-10(8)7(2)4-9(6)3;1-6-7(2)10(8)5-4-9(6)3;2*1-2/h2*6-7H,4-5H2,1-3H3;2*1-2H3.
What are the key properties of CID 166489215?
CID 166489215 has a molecular weight of 336.19 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166489215 is sourced from PubChem (CID 166489215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).