CID 123768082

C7H15BN — CID 123768082

IUPAC—
SMILESCC1C[B]N(C)CC1C
InChIInChI=1S/C7H15BN/c1-6-4-8-9(3)5-7(6)2/h6-7H,4-5H2,1-3H3
InChIKeyAHKDPEUNUUIPKR-UHFFFAOYSA-N
MW124.02 g/mol
LogP1.24
Rot. Bonds

About CID 123768082

CID 123768082 (PubChem CID 123768082) has the molecular formula C7H15BN and a molecular weight of 124.02 g/mol.

Molecular Properties

Compound NameCID 123768082
PubChem CID123768082
Molecular FormulaC7H15BN
Molecular Weight124.02 g/mol
Exact Mass124.13
IUPAC Name—
SMILESCC1C[B]N(C)CC1C
InChIInChI=1S/C7H15BN/c1-6-4-8-9(3)5-7(6)2/h6-7H,4-5H2,1-3H3
InChIKeyAHKDPEUNUUIPKR-UHFFFAOYSA-N
XLogP1.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.02
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
(2,5-dimethyl-4-silylpiperazin-1-yl)silane
CID 123216940
1,2,3,4-tetramethylpyrazolidine
CID 91568324
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
ethane;1,3,4-trimethylpiperidine
CID 142222872
2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188103
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
1,3,4-trimethylazepane
CID 59081993

Frequently Asked Questions

What is the IUPAC name of CID 123768082?
The IUPAC name of CID 123768082 (CID 123768082) is not available.
What is the SMILES notation for CID 123768082?
The canonical SMILES for CID 123768082 is CC1C[B]N(C)CC1C.
What is the InChIKey of CID 123768082?
The InChIKey is AHKDPEUNUUIPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BN/c1-6-4-8-9(3)5-7(6)2/h6-7H,4-5H2,1-3H3.
What are the key properties of CID 123768082?
CID 123768082 has a molecular weight of 124.02 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123768082 is sourced from PubChem (CID 123768082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).